Wednesday, August 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CAS Name: N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
IUPAC NAME: N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
SYSTEMATIC NAME: N'-[2-[2-[2-(2-azanylethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
MOLECULAR FORMULA: C10H28N6
MOLECULAR WEIGHT: 232.36952
SMILES: C(CNCCNCCNCCNCCN)N
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Product OPENEYE NAME: 1,4-diphenylbut-2-ene-1,4-dione
CAS Name: 1,4-diphenyl-2-butene-1,4-dione
IUPAC NAME: 1,4-diphenylbut-2-ene-1,4-dione
SYSTEMATIC NAME: 1,4-diphenylbut-2-ene-1,4-dione
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (4-nitrophenyl)-phenyl-iodonium bromide
CAS Name: (4-nitrophenyl)-phenyliodonium bromide
IUPAC NAME: (4-nitrophenyl)-phenyliodanium bromide
SYSTEMATIC NAME: (4-nitrophenyl)-phenyl-iodanium bromide
MOLECULAR FORMULA: C12H9BrINO2
MOLECULAR WEIGHT: 406.01383
SMILES: C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[Br-]
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Product OPENEYE NAME: (4-nitrophenyl)-phenyl-iodonium
CAS Name: (4-nitrophenyl)-phenyliodonium
IUPAC NAME: (4-nitrophenyl)-phenyliodanium
SYSTEMATIC NAME: (4-nitrophenyl)-phenyl-iodanium
MOLECULAR FORMULA: C12H9INO2+
MOLECULAR WEIGHT: 326.10983
SMILES: C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-butylphenol
CAS Name: 3-butylphenol
IUPAC NAME: 3-butylphenol
SYSTEMATIC NAME: 3-butylphenol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CCCCC1=CC(=CC=C1)O
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Product OPENEYE NAME: N,N-dimethyl-1,3-benzothiazol-2-amine
CAS Name: N,N-dimethyl-1,3-benzothiazol-2-amine
IUPAC NAME: N,N-dimethyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C9H10N2S
MOLECULAR WEIGHT: 178.2541
SMILES: CN(C)C1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CAS Name: 2-propenoic acid 2-[2-(1-oxoprop-2-enoxy)ethoxy]ethyl ester
IUPAC NAME: 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
SYSTEMATIC NAME: 2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
MOLECULAR FORMULA: C10H14O5
MOLECULAR WEIGHT: 214.21516
SMILES: C=CC(=O)OCCOCCOC(=O)C=C
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Product OPENEYE NAME: divinyl hexanedioate
CAS Name: hexanedioic acid bis(ethenyl) ester
IUPAC NAME: bis(ethenyl) hexanedioate
SYSTEMATIC NAME: bis(ethenyl) hexanedioate
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: C=COC(=O)CCCCC(=O)OC=C
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Product OPENEYE NAME: N-(4-phenylphenyl)acetamide
CAS Name: N-(4-phenylphenyl)acetamide
IUPAC NAME: N-(4-phenylphenyl)acetamide
SYSTEMATIC NAME: N-(4-phenylphenyl)ethanamide
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2
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Product OPENEYE NAME: calcium propanoate
CAS Name: calcium propanoate
IUPAC NAME: calcium propanoate
SYSTEMATIC NAME: calcium propanoate
MOLECULAR FORMULA: C6H10CaO4
MOLECULAR WEIGHT: 186.2192
SMILES: CCC(=O)[O-].CCC(=O)[O-].[Ca+2]
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Product OPENEYE NAME: trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]ammonium iodide
CAS Name: trimethyl-[2-[2-(2-oxo-1-pyrrolidinyl)ethoxy]ethyl]ammonium iodide
IUPAC NAME: trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethoxy]ethyl]azanium iodide
MOLECULAR FORMULA: C11H23IN2O2
MOLECULAR WEIGHT: 342.21699
SMILES: C[N+](C)(C)CCOCCN1CCCC1=O.[I-]
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Product OPENEYE NAME: trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]ammonium
CAS Name: trimethyl-[2-[2-(2-oxo-1-pyrrolidinyl)ethoxy]ethyl]ammonium
IUPAC NAME: trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-[2-(2-oxidanylidenepyrrolidin-1-yl)ethoxy]ethyl]azanium
MOLECULAR FORMULA: C11H23N2O2+
MOLECULAR WEIGHT: 215.31252
SMILES: C[N+](C)(C)CCOCCN1CCCC1=O
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Product OPENEYE NAME: trimethyl(pent-2-ynyl)ammonium iodide
CAS Name: trimethyl(pent-2-ynyl)ammonium iodide
IUPAC NAME: trimethyl(pent-2-ynyl)azanium iodide
SYSTEMATIC NAME: trimethyl(pent-2-ynyl)azanium iodide
MOLECULAR FORMULA: C8H16IN
MOLECULAR WEIGHT: 253.12381
SMILES: CCC#CC[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl(pent-2-ynyl)ammonium
CAS Name: trimethyl(pent-2-ynyl)ammonium
IUPAC NAME: trimethyl(pent-2-ynyl)azanium
SYSTEMATIC NAME: trimethyl(pent-2-ynyl)azanium
MOLECULAR FORMULA: C8H16N+
MOLECULAR WEIGHT: 126.21934
SMILES: CCC#CC[N+](C)(C)C
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Product OPENEYE NAME: trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]ammonium iodide
CAS Name: trimethyl-[2-[(2-oxo-1-pyrrolidinyl)methoxy]ethyl]ammonium iodide
IUPAC NAME: trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]ethyl]azanium iodide
MOLECULAR FORMULA: C10H21IN2O2
MOLECULAR WEIGHT: 328.19041
SMILES: C[N+](C)(C)CCOCN1CCCC1=O.[I-]
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Product OPENEYE NAME: trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]ammonium
CAS Name: trimethyl-[2-[(2-oxo-1-pyrrolidinyl)methoxy]ethyl]ammonium
IUPAC NAME: trimethyl-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]azanium
SYSTEMATIC NAME: trimethyl-[2-[(2-oxidanylidenepyrrolidin-1-yl)methoxy]ethyl]azanium
MOLECULAR FORMULA: C10H21N2O2+
MOLECULAR WEIGHT: 201.28594
SMILES: C[N+](C)(C)CCOCN1CCCC1=O
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Product OPENEYE NAME: N,N-dimethyl-1-phenyl-propan-2-amine
CAS Name: N,N-dimethyl-1-phenyl-2-propanamine
IUPAC NAME: N,N-dimethyl-1-phenylpropan-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1-phenyl-propan-2-amine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CC(CC1=CC=CC=C1)N(C)C
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Product OPENEYE NAME: 4-methylbenzo[c]phenanthrene
CAS Name: 4-methylbenzo[c]phenanthrene
IUPAC NAME: 4-methylbenzo[c]phenanthrene
SYSTEMATIC NAME: 4-methylbenzo[c]phenanthrene
MOLECULAR FORMULA: C19H14
MOLECULAR WEIGHT: 242.31446
SMILES: CC1=CC=CC2=C1C=CC3=C2C4=CC=CC=C4C=C3
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Product OPENEYE NAME: ethyl 3-(aziridin-1-yl)propanoate
CAS Name: 3-(1-aziridinyl)propanoic acid ethyl ester
IUPAC NAME: ethyl 3-(aziridin-1-yl)propanoate
SYSTEMATIC NAME: ethyl 3-(aziridin-1-yl)propanoate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CCOC(=O)CCN1CC1
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Product OPENEYE NAME: N,N-diethylprop-2-yn-1-amine
CAS Name: N,N-diethyl-2-propyn-1-amine
IUPAC NAME: N,N-diethylprop-2-yn-1-amine
SYSTEMATIC NAME: N,N-diethylprop-2-yn-1-amine
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: CCN(CC)CC#C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H16Cl2N4
MOLECULAR WEIGHT: 251.15614
SMILES: C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]
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All Chemical Compounds Information




Product OPENEYE NAME: cyclohepta-1,3-diene
CAS Name: cyclohepta-1,3-diene
IUPAC NAME: cyclohepta-1,3-diene
SYSTEMATIC NAME: cyclohepta-1,3-diene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC=CC=CC1
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N4O6
MOLECULAR WEIGHT: 404.41706
SMILES: CCCC(=O)N1C2C1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N4O6
MOLECULAR WEIGHT: 390.39048
SMILES: CCC(=O)N1C2C1C3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19N3O6
MOLECULAR WEIGHT: 349.33856
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H19N3O6
MOLECULAR WEIGHT: 349.33856
SMILES: CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)OC
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Product OPENEYE NAME: 2,6-dimethyloct-2-ene
CAS Name: 2,6-dimethyl-2-octene
IUPAC NAME: 2,6-dimethyloct-2-ene
SYSTEMATIC NAME: 2,6-dimethyloct-2-ene
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCC(C)CCC=C(C)C
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C20H26ClN3O2
MOLECULAR WEIGHT: 375.89234
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C20H26N3O2+
MOLECULAR WEIGHT: 340.43934
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[4-(2,6-dimethylanilino)-4-oxo-butyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium chloride
SYSTEMATIC NAME: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C22H30ClN3O2
MOLECULAR WEIGHT: 403.9455
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[4-(2,6-dimethylanilino)-4-oxo-butyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[4-(2,6-dimethylanilino)-4-oxobutyl]-dimethylazanium
SYSTEMATIC NAME: [4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C22H30N3O2+
MOLECULAR WEIGHT: 368.4925
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCC[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylammonium chloride
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium chloride
MOLECULAR FORMULA: C19H23Cl2N3O2
MOLECULAR WEIGHT: 396.31082
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: (2-anilino-2-oxo-ethyl)-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylammonium
IUPAC NAME: (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium
MOLECULAR FORMULA: C19H23ClN3O2+
MOLECULAR WEIGHT: 360.85782
SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C[N+](C)(C)CC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: 2-[(4-chlorophenyl)-phenylazo-methyl]propanedinitrile
CAS Name: 2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile
IUPAC NAME: 2-[(4-chlorophenyl)-phenyldiazenylmethyl]propanedinitrile
SYSTEMATIC NAME: 2-[(4-chlorophenyl)-phenyldiazenyl-methyl]propanedinitrile
MOLECULAR FORMULA: C16H11ClN4
MOLECULAR WEIGHT: 294.73834
SMILES: C1=CC=C(C=C1)N=NC(C2=CC=C(C=C2)Cl)C(C#N)C#N
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Product OPENEYE NAME: (2-allyloxyphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-prop-2-enoxyphenyl) ester
IUPAC NAME: (2-prop-2-enoxyphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-prop-2-enoxyphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: CNC(=O)OC1=CC=CC=C1OCC=C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO)C
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Product OPENEYE NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H34O7
MOLECULAR WEIGHT: 458.54396
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)C=O
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Product OPENEYE NAME: 3-ethyl-3-phenyl-tetrahydrofuran-2-one
CAS Name: 3-ethyl-3-phenyl-2-oxolanone
IUPAC NAME: 3-ethyl-3-phenyloxolan-2-one
SYSTEMATIC NAME: 3-ethyl-3-phenyl-oxolan-2-one
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CCC1(CCOC1=O)C2=CC=CC=C2
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Product OPENEYE NAME: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethyl-acetamide
CAS Name: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
IUPAC NAME: N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
SYSTEMATIC NAME: N-[4-chloranyl-6-[ethanoyl(ethyl)amino]-1,3,5-triazin-2-yl]-N-ethyl-ethanamide
MOLECULAR FORMULA: C11H16ClN5O2
MOLECULAR WEIGHT: 285.73004
SMILES: CCN(C1=NC(=NC(=N1)Cl)N(CC)C(=O)C)C(=O)C
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Product OPENEYE NAME: 5-benzoyl-4-hydroxy-2-methoxy-benzenesulfonic acid
CAS Name: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
IUPAC NAME: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
SYSTEMATIC NAME: 2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid
MOLECULAR FORMULA: C14H12O6S
MOLECULAR WEIGHT: 308.30648
SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
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Product OPENEYE NAME: 1-(o-tolyl)pyrrole-2,5-dione
CAS Name: 1-(2-methylphenyl)pyrrole-2,5-dione
IUPAC NAME: 1-(2-methylphenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(2-methylphenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=CC=CC=C1N2C(=O)C=CC2=O
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Product OPENEYE NAME: 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
CAS Name: 2-amino-3-(2-carboxyethylthio)propanoic acid
IUPAC NAME: 2-amino-3-(2-carboxyethylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3-hydroxy-3-oxopropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H11NO4S
MOLECULAR WEIGHT: 193.22084
SMILES: C(CSCC(C(=O)O)N)C(=O)O
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium bromide
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium bromide
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C14H21BrClNO2
MOLECULAR WEIGHT: 350.67904
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=C(C=C2)Cl.[Br-]
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Product OPENEYE NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium
CAS Name: [3-[(4-chlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium
IUPAC NAME: [3-[(4-chlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [3-[(4-chloranylphenoxy)methyl]oxetan-3-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H21ClNO2+
MOLECULAR WEIGHT: 270.77504
SMILES: C[N+](C)(C)CC1(COC1)COC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium bromide
CAS Name: [3-[(2,4-dichlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium bromide
IUPAC NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium bromide
SYSTEMATIC NAME: [3-[[2,4-bis(chloranyl)phenoxy]methyl]oxetan-3-yl]methyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C14H20BrCl2NO2
MOLECULAR WEIGHT: 385.1241
SMILES: C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl.[Br-]
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Product OPENEYE NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethyl-ammonium
CAS Name: [3-[(2,4-dichlorophenoxy)methyl]-3-oxetanyl]methyl-trimethylammonium
IUPAC NAME: [3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
SYSTEMATIC NAME: [3-[[2,4-bis(chloranyl)phenoxy]methyl]oxetan-3-yl]methyl-trimethyl-azanium
MOLECULAR FORMULA: C14H20Cl2NO2+
MOLECULAR WEIGHT: 305.2201
SMILES: C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
CAS Name: 1,3-bis(6-isocyanatohexyl)-1-[(6-isocyanatohexylamino)-oxomethyl]urea
IUPAC NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
SYSTEMATIC NAME: 1,3-bis(6-isocyanatohexyl)-1-(6-isocyanatohexylcarbamoyl)urea
MOLECULAR FORMULA: C23H38N6O5
MOLECULAR WEIGHT: 478.58502
SMILES: C(CCCN=C=O)CCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O
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Product OPENEYE NAME: 3-ethylpent-1-ene
CAS Name: 3-ethyl-1-pentene
IUPAC NAME: 3-ethylpent-1-ene
SYSTEMATIC NAME: 3-ethylpent-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC(CC)C=C
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Product OPENEYE NAME: N-methyl-1,3,5-triazin-2-amine
CAS Name: N-methyl-1,3,5-triazin-2-amine
IUPAC NAME: N-methyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-methyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: CNC1=NC=NC=N1
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Product OPENEYE NAME: N,N-dimethyl-1,3,5-triazin-2-amine
CAS Name: N,N-dimethyl-1,3,5-triazin-2-amine
IUPAC NAME: N,N-dimethyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C5H8N4
MOLECULAR WEIGHT: 124.14382
SMILES: CN(C)C1=NC=NC=N1
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Product OPENEYE NAME: N-benzyl-1,3,5-triazin-2-amine
CAS Name: N-(phenylmethyl)-1,3,5-triazin-2-amine
IUPAC NAME: N-benzyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-(phenylmethyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C10H10N4
MOLECULAR WEIGHT: 186.2132
SMILES: C1=CC=C(C=C1)CNC2=NC=NC=N2
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Product OPENEYE NAME: N-phenyl-1,3,5-triazin-2-amine
CAS Name: N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C9H8N4
MOLECULAR WEIGHT: 172.18662
SMILES: C1=CC=C(C=C1)NC2=NC=NC=N2
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Product OPENEYE NAME: 6-amino-1H-1,3,5-triazin-2-one
CAS Name: 6-amino-1H-1,3,5-triazin-2-one
IUPAC NAME: 6-amino-1H-1,3,5-triazin-2-one
SYSTEMATIC NAME: 6-azanyl-1H-1,3,5-triazin-2-one
MOLECULAR FORMULA: C3H4N4O
MOLECULAR WEIGHT: 112.09006
SMILES: C1=NC(=O)NC(=N1)N
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Product OPENEYE NAME: 2,5-dimethylcyclopent-2-en-1-one
CAS Name: 2,5-dimethyl-1-cyclopent-2-enone
IUPAC NAME: 2,5-dimethylcyclopent-2-en-1-one
SYSTEMATIC NAME: 2,5-dimethylcyclopent-2-en-1-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC1CC=C(C1=O)C
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Product OPENEYE NAME: 1,4-diisothiocyanatobenzene
CAS Name: 1,4-diisothiocyanatobenzene
IUPAC NAME: 1,4-diisothiocyanatobenzene
SYSTEMATIC NAME: 1,4-diisothiocyanatobenzene
MOLECULAR FORMULA: C8H4N2S2
MOLECULAR WEIGHT: 192.26076
SMILES: C1=CC(=CC=C1N=C=S)N=C=S
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Product OPENEYE NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
CAS Name: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]-1-propanol
IUPAC NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
SYSTEMATIC NAME: 3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
MOLECULAR FORMULA: C13H15N5O
MOLECULAR WEIGHT: 257.2911
SMILES: CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO
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Product OPENEYE NAME: 6-aminohexan-1-ol
CAS Name: 6-amino-1-hexanol
IUPAC NAME: 6-aminohexan-1-ol
SYSTEMATIC NAME: 6-azanylhexan-1-ol
MOLECULAR FORMULA: C6H15NO
MOLECULAR WEIGHT: 117.1894
SMILES: C(CCCO)CCN
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Product OPENEYE NAME:
CAS Name:
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MOLECULAR FORMULA: C22H30N4O6
MOLECULAR WEIGHT: 446.4968
SMILES: CCCCCCC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C21H28N4O5
MOLECULAR WEIGHT: 416.47082
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)NC5CCCCC5
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C([C@@]3([C@@H]2COC(=O)N)OC)N4)N(C)C
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MOLECULAR FORMULA: C18H22N4O7
MOLECULAR WEIGHT: 406.38988
SMILES: CCOC(=O)N1C2C1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
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Product OPENEYE NAME: 2-methylhexa-1,5-diene
CAS Name: 2-methylhexa-1,5-diene
IUPAC NAME: 2-methylhexa-1,5-diene
SYSTEMATIC NAME: 2-methylhexa-1,5-diene
MOLECULAR FORMULA: C7H12
MOLECULAR WEIGHT: 96.17018
SMILES: CC(=C)CCC=C
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Product OPENEYE NAME: hex-2-ene
CAS Name: 2-hexene
IUPAC NAME: hex-2-ene
SYSTEMATIC NAME: hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCCC=CC
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Product OPENEYE NAME: 4-methyl-1-oxido-quinolin-1-ium
CAS Name: 4-methyl-1-oxidoquinolin-1-ium
IUPAC NAME: 4-methyl-1-oxidoquinolin-1-ium
SYSTEMATIC NAME: 4-methyl-1-oxidanidyl-quinolin-1-ium
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC=[N+](C2=CC=CC=C12)[O-]
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All Chemical Compounds Information




Product OPENEYE NAME: N,N-dimethyl-2-[phenyl(p-tolyl)methoxy]ethanamine
CAS Name: N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine
IUPAC NAME: N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[(4-methylphenyl)-phenyl-methoxy]ethanamine
MOLECULAR FORMULA: C18H23NO
MOLECULAR WEIGHT: 269.38132
SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
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Product OPENEYE NAME: 2,3,4,4,5,5,6,6-octachlorocyclohex-2-en-1-one
CAS Name: 2,3,4,4,5,5,6,6-octachloro-1-cyclohex-2-enone
IUPAC NAME: 2,3,4,4,5,5,6,6-octachlorocyclohex-2-en-1-one
SYSTEMATIC NAME: 2,3,4,4,5,5,6,6-octakis(chloranyl)cyclohex-2-en-1-one
MOLECULAR FORMULA: C6Cl8O
MOLECULAR WEIGHT: 371.6876
SMILES: C1(=C(C(C(C(C1=O)(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C24H32O5
MOLECULAR WEIGHT: 400.50788
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)O)C)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H36O7
MOLECULAR WEIGHT: 484.58124
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@]35[C@H](O5)[C@@H]([C@@H]4C6=COC(=O)C=C6)OC(=O)C)C)C
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Product OPENEYE NAME: 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine diacetate
CAS Name: 1-[10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl]-2-methyl-4-quinolin-1-iumamine diacetate
IUPAC NAME: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate
SYSTEMATIC NAME: 1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine diethanoate
MOLECULAR FORMULA: C34H46N4O4
MOLECULAR WEIGHT: 574.75344
SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-]
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C26H34O5
MOLECULAR WEIGHT: 426.54516
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CCC3C2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)C
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MOLECULAR FORMULA: C26H34O6
MOLECULAR WEIGHT: 442.54456
SMILES: CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](C[C@@H]5[C@@]4(C3CC[C@@]2(C1)O)O5)C6=COC(=O)C=C6)C)C
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Product OPENEYE NAME: 1-hydroxy-6-imino-4-methyl-1,3,5-triazin-2-amine
CAS Name: 1-hydroxy-6-imino-4-methyl-1,3,5-triazin-2-amine
IUPAC NAME: 1-hydroxy-6-imino-4-methyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 6-azanylidene-4-methyl-1-oxidanyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C4H7N5O
MOLECULAR WEIGHT: 141.13128
SMILES: CC1=NC(=N)N(C(=N1)N)O
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12Cl2N2
MOLECULAR WEIGHT: 255.14308
SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Cl-].[Cl-]
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Product OPENEYE NAME: 2,3,6-trimethylheptane
CAS Name: 2,3,6-trimethylheptane
IUPAC NAME: 2,3,6-trimethylheptane
SYSTEMATIC NAME: 2,3,6-trimethylheptane
MOLECULAR FORMULA: C10H22
MOLECULAR WEIGHT: 142.28168
SMILES: CC(C)CCC(C)C(C)C
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All Chemical Compounds Information




Product OPENEYE NAME: (6-methoxytetralin-2-yl)ammonium chloride
CAS Name: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ammonium chloride
IUPAC NAME: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride
SYSTEMATIC NAME: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride
MOLECULAR FORMULA: C11H16ClNO
MOLECULAR WEIGHT: 213.70384
SMILES: COC1=CC2=C(CC(CC2)[NH3+])C=C1.[Cl-]
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Product OPENEYE NAME: 6-methoxytetralin-2-amine
CAS Name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC NAME: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SYSTEMATIC NAME: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: COC1=CC2=C(CC(CC2)N)C=C1
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Product OPENEYE NAME: 1-nitro-2-styryl-benzene
CAS Name: 1-nitro-2-(2-phenylethenyl)benzene
IUPAC NAME: 1-nitro-2-(2-phenylethenyl)benzene
SYSTEMATIC NAME: 1-nitro-2-(2-phenylethenyl)benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 1,3,4-thiadiazol-2-amine
CAS Name: 1,3,4-thiadiazol-2-amine
IUPAC NAME: 1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C2H3N3S
MOLECULAR WEIGHT: 101.13032
SMILES: C1=NN=C(S1)N
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Product OPENEYE NAME: 5-nitroquinolin-8-ol
CAS Name: 5-nitro-8-quinolinol
IUPAC NAME: 5-nitroquinolin-8-ol
SYSTEMATIC NAME: 5-nitroquinolin-8-ol
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
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Product OPENEYE NAME: 1-methoxyethylbenzene
CAS Name: 1-methoxyethylbenzene
IUPAC NAME: 1-methoxyethylbenzene
SYSTEMATIC NAME: 1-methoxyethylbenzene
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C1=CC=CC=C1)OC
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Product OPENEYE NAME: pyridine-3-carbonyl azide
CAS Name: azido(3-pyridinyl)methanone
IUPAC NAME: pyridine-3-carbonyl azide
SYSTEMATIC NAME: azido(pyridin-3-yl)methanone
MOLECULAR FORMULA: C6H4N4O
MOLECULAR WEIGHT: 148.12216
SMILES: C1=CC(=CN=C1)C(=O)N=[N+]=[N-]
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Product OPENEYE NAME: 3-(diazoniocarbamoyl)pyridine
CAS Name: 3-[(diazonioamino)-oxomethyl]pyridine
IUPAC NAME: 3-(diazoniocarbamoyl)pyridine
SYSTEMATIC NAME: 3-(diazoniocarbamoyl)pyridine
MOLECULAR FORMULA: C6H5N4O+
MOLECULAR WEIGHT: 149.1301
SMILES: C1=CC(=CN=C1)C(=O)N[N+]#N
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Product OPENEYE NAME: 1,5-dimethylhexyl(isopropyl)ammonium chloride
CAS Name: 6-methylheptan-2-yl(propan-2-yl)ammonium chloride
IUPAC NAME: 6-methylheptan-2-yl(propan-2-yl)azanium chloride
SYSTEMATIC NAME: 6-methylheptan-2-yl(propan-2-yl)azanium chloride
MOLECULAR FORMULA: C11H26ClN
MOLECULAR WEIGHT: 207.78384
SMILES: CC(C)CCCC(C)[NH2+]C(C)C.[Cl-]
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Product OPENEYE NAME: N-isopropyl-6-methyl-heptan-2-amine
CAS Name: 6-methyl-N-propan-2-yl-2-heptanamine
IUPAC NAME: 6-methyl-N-propan-2-ylheptan-2-amine
SYSTEMATIC NAME: 6-methyl-N-propan-2-yl-heptan-2-amine
MOLECULAR FORMULA: C11H25N
MOLECULAR WEIGHT: 171.3229
SMILES: CC(C)CCCC(C)NC(C)C
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Product OPENEYE NAME: 4-ethyl-6,7-dimethoxy-quinazoline
CAS Name: 4-ethyl-6,7-dimethoxyquinazoline
IUPAC NAME: 4-ethyl-6,7-dimethoxyquinazoline
SYSTEMATIC NAME: 4-ethyl-6,7-dimethoxy-quinazoline
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CCC1=NC=NC2=CC(=C(C=C21)OC)OC
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Product OPENEYE NAME: 2-(ethoxymethyl)oxirane
CAS Name: 2-(ethoxymethyl)oxirane
IUPAC NAME: 2-(ethoxymethyl)oxirane
SYSTEMATIC NAME: 2-(ethoxymethyl)oxirane
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CCOCC1CO1
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Product OPENEYE NAME: 2-(isopropoxymethyl)oxirane
CAS Name: 2-(propan-2-yloxymethyl)oxirane
IUPAC NAME: 2-(propan-2-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(propan-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(C)OCC1CO1
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Product OPENEYE NAME: 1-methoxy-1-oxo-dodecane-2-sulfonic acid
CAS Name: 1-methoxy-1-oxo-2-dodecanesulfonic acid
IUPAC NAME: 1-methoxy-1-oxododecane-2-sulfonic acid
SYSTEMATIC NAME: 1-methoxy-1-oxidanylidene-dodecane-2-sulfonic acid
MOLECULAR FORMULA: C13H26O5S
MOLECULAR WEIGHT: 294.40754
SMILES: CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
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Product OPENEYE NAME: 1-methoxy-1-oxo-tetradecane-2-sulfonic acid
CAS Name: 1-methoxy-1-oxo-2-tetradecanesulfonic acid
IUPAC NAME: 1-methoxy-1-oxotetradecane-2-sulfonic acid
SYSTEMATIC NAME: 1-methoxy-1-oxidanylidene-tetradecane-2-sulfonic acid
MOLECULAR FORMULA: C15H30O5S
MOLECULAR WEIGHT: 322.4607
SMILES: CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
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Product OPENEYE NAME: 1-ethoxy-1-oxo-hexadecane-2-sulfonic acid
CAS Name: 1-ethoxy-1-oxo-2-hexadecanesulfonic acid
IUPAC NAME: 1-ethoxy-1-oxohexadecane-2-sulfonic acid
SYSTEMATIC NAME: 1-ethoxy-1-oxidanylidene-hexadecane-2-sulfonic acid
MOLECULAR FORMULA: C18H36O5S
MOLECULAR WEIGHT: 364.54044
SMILES: CCCCCCCCCCCCCCC(C(=O)OCC)S(=O)(=O)O
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Product OPENEYE NAME: 1-tert-butylaziridine
CAS Name: 1-tert-butylaziridine
IUPAC NAME: 1-tert-butylaziridine
SYSTEMATIC NAME: 1-tert-butylaziridine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC(C)(C)N1CC1
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Product OPENEYE NAME: 3-chlorobenzene-1,2-diol
CAS Name: 3-chlorobenzene-1,2-diol
IUPAC NAME: 3-chlorobenzene-1,2-diol
SYSTEMATIC NAME: 3-chloranylbenzene-1,2-diol
MOLECULAR FORMULA: C6H5ClO2
MOLECULAR WEIGHT: 144.5557
SMILES: C1=CC(=C(C(=C1)Cl)O)O
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Product OPENEYE NAME: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxy-benzamide
CAS Name: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxybenzamide
IUPAC NAME: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 5-chloranyl-N,3-bis(4-chlorophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H12Cl3NO2
MOLECULAR WEIGHT: 392.66308
SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2O)C(=O)NC3=CC=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
CAS Name: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H15N5
MOLECULAR WEIGHT: 217.2703
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)C
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Product OPENEYE NAME: 2-(4-chlorophenyl)-1-(diaminomethylene)guanidine
CAS Name: 2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
IUPAC NAME: 2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(4-chlorophenyl)guanidine
MOLECULAR FORMULA: C8H10ClN5
MOLECULAR WEIGHT: 211.6515
SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)Cl
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Product OPENEYE NAME: dimethyl-[2-[phenyl(p-tolyl)methoxy]ethyl]ammonium chloride
CAS Name: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]azanium chloride
MOLECULAR FORMULA: C18H24ClNO
MOLECULAR WEIGHT: 305.84226
SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.[Cl-]
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All Chemical Compounds Information




Product OPENEYE NAME: 3-phenyl-1-(2-thienyl)prop-2-en-1-one
CAS Name: 3-phenyl-1-thiophen-2-yl-2-propen-1-one
IUPAC NAME: 3-phenyl-1-thiophen-2-ylprop-2-en-1-one
SYSTEMATIC NAME: 3-phenyl-1-thiophen-2-yl-prop-2-en-1-one
MOLECULAR FORMULA: C13H10OS
MOLECULAR WEIGHT: 214.2829
SMILES: C1=CC=C(C=C1)C=CC(=O)C2=CC=CS2
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Product OPENEYE NAME: octyl dihydrogen phosphate
CAS Name: octyl dihydrogen phosphate
IUPAC NAME: octyl dihydrogen phosphate
SYSTEMATIC NAME: octyl dihydrogen phosphate
MOLECULAR FORMULA: C8H19O4P
MOLECULAR WEIGHT: 210.207821
SMILES: CCCCCCCCOP(=O)(O)O
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Product OPENEYE NAME: ethyl 2-cyano-2-(m-tolylhydrazono)acetate
CAS Name: 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]ethanoate
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CCOC(=O)C(=NNC1=CC=CC(=C1)C)C#N
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Product OPENEYE NAME: ethyl 2-[(4-chlorophenyl)hydrazono]-2-cyano-acetate
CAS Name: 2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-cyanoacetate
SYSTEMATIC NAME: ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-cyano-ethanoate
MOLECULAR FORMULA: C11H10ClN3O2
MOLECULAR WEIGHT: 251.669
SMILES: CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)C#N
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Product OPENEYE NAME: 1-methyl-4-nitro-pyrazole
CAS Name: 1-methyl-4-nitropyrazole
IUPAC NAME: 1-methyl-4-nitropyrazole
SYSTEMATIC NAME: 1-methyl-4-nitro-pyrazole
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: CN1C=C(C=N1)[N+](=O)[O-]
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Product OPENEYE NAME: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
CAS Name: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dichloro-N-methyl-N-phenyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-methyl-N-phenyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C10H8Cl2N4
MOLECULAR WEIGHT: 255.10332
SMILES: CN(C1=CC=CC=C1)C2=NC(=NC(=N2)Cl)Cl
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Product OPENEYE NAME: 6-chloro-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-2-N,4-N-dimethyl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-dimethyl-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C17H16ClN5
MOLECULAR WEIGHT: 325.79544
SMILES: CN(C1=CC=CC=C1)C2=NC(=NC(=N2)Cl)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: 6-tert-butyl-3-methyl-2,4-dinitro-phenol
CAS Name: 6-tert-butyl-3-methyl-2,4-dinitrophenol
IUPAC NAME: 6-tert-butyl-3-methyl-2,4-dinitrophenol
SYSTEMATIC NAME: 6-tert-butyl-3-methyl-2,4-dinitro-phenol
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
CAS Name: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
IUPAC NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
SYSTEMATIC NAME: 3-(3,3-diphenylpropyl)-3-azoniabicyclo[3.2.2]nonane chloride
MOLECULAR FORMULA: C23H30ClN
MOLECULAR WEIGHT: 355.944
SMILES: C1CC2CCC1C[NH+](C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
CAS Name: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
IUPAC NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
SYSTEMATIC NAME: 3-(3,3-diphenylpropyl)-3-azabicyclo[3.2.2]nonane
MOLECULAR FORMULA: C23H29N
MOLECULAR WEIGHT: 319.48306
SMILES: C1CC2CCC1CN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 3-ethyl-5-methyl-pyridine
CAS Name: 3-ethyl-5-methylpyridine
IUPAC NAME: 3-ethyl-5-methylpyridine
SYSTEMATIC NAME: 3-ethyl-5-methyl-pyridine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CCC1=CN=CC(=C1)C
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Product OPENEYE NAME: 1,2,3-triaminoguanidine nitrate
CAS Name: 1,2,3-triaminoguanidine nitrate
IUPAC NAME: 1,2,3-triaminoguanidine nitrate
SYSTEMATIC NAME: 1,2,3-tris(azanyl)guanidine nitrate
MOLECULAR FORMULA: CH8N7O3-
MOLECULAR WEIGHT: 166.11932
SMILES: C(=NN)(NN)NN.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 1,2,3-triaminoguanidine
CAS Name: 1,2,3-triaminoguanidine
IUPAC NAME: 1,2,3-triaminoguanidine
SYSTEMATIC NAME: 1,2,3-tris(azanyl)guanidine
MOLECULAR FORMULA: CH8N6
MOLECULAR WEIGHT: 104.11442
SMILES: C(=NN)(NN)NN
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Product OPENEYE NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
CAS Name: 2,4-dimethoxy-6-methyl-1,3,5-triazine
IUPAC NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
SYSTEMATIC NAME: 2,4-dimethoxy-6-methyl-1,3,5-triazine
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CC1=NC(=NC(=N1)OC)OC
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Product OPENEYE NAME: 2-(2,5-dichlorophenyl)azopropanedinitrile
CAS Name: 2-(2,5-dichlorophenyl)azopropanedinitrile
IUPAC NAME: 2-[(2,5-dichlorophenyl)diazenyl]propanedinitrile
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]diazenyl]propanedinitrile
MOLECULAR FORMULA: C9H4Cl2N4
MOLECULAR WEIGHT: 239.06086
SMILES: C1=CC(=C(C=C1Cl)N=NC(C#N)C#N)Cl
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All Chemical Compounds Information




Product OPENEYE NAME: N'-(1-phenylethyl)acetohydrazide
CAS Name: N'-(1-phenylethyl)acetohydrazide
IUPAC NAME: N'-(1-phenylethyl)acetohydrazide
SYSTEMATIC NAME: N'-(1-phenylethyl)ethanehydrazide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C1=CC=CC=C1)NNC(=O)C
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Product OPENEYE NAME: 1,3,5-trimethyl-2-phenyl-benzene
CAS Name: 1,3,5-trimethyl-2-phenylbenzene
IUPAC NAME: 1,3,5-trimethyl-2-phenylbenzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-phenyl-benzene
MOLECULAR FORMULA: C15H16
MOLECULAR WEIGHT: 196.28754
SMILES: CC1=CC(=C(C(=C1)C)C2=CC=CC=C2)C
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Product OPENEYE NAME: 3,4-dichlorobenzene-1,2-diol
CAS Name: 3,4-dichlorobenzene-1,2-diol
IUPAC NAME: 3,4-dichlorobenzene-1,2-diol
SYSTEMATIC NAME: 3,4-bis(chloranyl)benzene-1,2-diol
MOLECULAR FORMULA: C6H4Cl2O2
MOLECULAR WEIGHT: 179.00076
SMILES: C1=CC(=C(C(=C1O)O)Cl)Cl
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Product OPENEYE NAME: 4-tert-butylpyridine
CAS Name: 4-tert-butylpyridine
IUPAC NAME: 4-tert-butylpyridine
SYSTEMATIC NAME: 4-tert-butylpyridine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC(C)(C)C1=CC=NC=C1
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Product OPENEYE NAME: hydrogen sulfate; (1-phenylethylamino)ammonium
CAS Name: hydrogen sulfate; (1-phenylethylamino)ammonium
IUPAC NAME: hydrogen sulfate; (1-phenylethylamino)azanium
SYSTEMATIC NAME: hydrogen sulfate; (1-phenylethylamino)azanium
MOLECULAR FORMULA: C8H14N2O4S
MOLECULAR WEIGHT: 234.27276
SMILES: CC(C1=CC=CC=C1)N[NH3+].OS(=O)(=O)[O-]
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Product OPENEYE NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[[(2R,5S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,10R,13R,14S,17R)-10,13-dimethyl-3-[(2R,5S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,14-bis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O9
MOLECULAR WEIGHT: 536.65426
SMILES: CC1[C@H](C(C([C@@H](O1)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CC[C@@]5(C4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)O)O)O
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Product OPENEYE NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5S,8R,10R,12R,13S,14S,17R)-10,13-dimethyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,12,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O10
MOLECULAR WEIGHT: 552.65366
SMILES: CC1C(C(C(C(O1)O[C@H]2CC[C@@]3(C4C[C@H]([C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O
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Product OPENEYE NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
CAS Name: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
IUPAC NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
SYSTEMATIC NAME: dimethyl-bis[[methyl(diphenyl)silyl]oxy]silane
MOLECULAR FORMULA: C28H32O2Si3
MOLECULAR WEIGHT: 484.80898
SMILES: C[Si](C)(O[Si](C)(C1=CC=CC=C1)C2=CC=CC=C2)O[Si](C)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: trichloro(thioxo)-$l^{5}-phosphane
CAS Name: trichloro(sulfanylidene)phosphorane
IUPAC NAME: trichloro(sulfanylidene)-$l^{5}-phosphane
SYSTEMATIC NAME: tris(chloranyl)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: Cl3PS
MOLECULAR WEIGHT: 169.397761
SMILES: P(=S)(Cl)(Cl)Cl
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Product OPENEYE NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=CC=C1[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[2-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[2-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=CC=C1[N+](C)(C)C
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Product OPENEYE NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[3-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[3-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=CC(=C1)[N+](C)(C)C
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Product OPENEYE NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium iodide
CAS Name: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium iodide
IUPAC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium iodide
MOLECULAR FORMULA: C11H17IN2O2
MOLECULAR WEIGHT: 336.16935
SMILES: CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium
CAS Name: trimethyl-[4-(methylcarbamoyloxy)phenyl]ammonium
IUPAC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium
SYSTEMATIC NAME: trimethyl-[4-(methylcarbamoyloxy)phenyl]azanium
MOLECULAR FORMULA: C11H17N2O2+
MOLECULAR WEIGHT: 209.26488
SMILES: CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C
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Product OPENEYE NAME: chromene-2-thione
CAS Name: 1-benzopyran-2-thione
IUPAC NAME: chromene-2-thione
SYSTEMATIC NAME: chromene-2-thione
MOLECULAR FORMULA: C9H6OS
MOLECULAR WEIGHT: 162.20834
SMILES: C1=CC=C2C(=C1)C=CC(=S)O2
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All Chemical Compounds Information




Product OPENEYE NAME: 2-ethylbutyl prop-2-enoate
CAS Name: 2-propenoic acid 2-ethylbutyl ester
IUPAC NAME: 2-ethylbutyl prop-2-enoate
SYSTEMATIC NAME: 2-ethylbutyl prop-2-enoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CCC(CC)COC(=O)C=C
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Product OPENEYE NAME: N-[1-(hydrazinecarbonyl)-2-methyl-4-phenyl-butyl]acetamide
CAS Name: N-(1-hydrazinyl-3-methyl-1-oxo-5-phenylpentan-2-yl)acetamide
IUPAC NAME: N-(1-hydrazinyl-3-methyl-1-oxo-5-phenylpentan-2-yl)acetamide
SYSTEMATIC NAME: N-(1-diazanyl-3-methyl-1-oxidanylidene-5-phenyl-pentan-2-yl)ethanamide
MOLECULAR FORMULA: C14H21N3O2
MOLECULAR WEIGHT: 263.33544
SMILES: CC(CCC1=CC=CC=C1)C(C(=O)NN)NC(=O)C
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Product OPENEYE NAME: disodium 4-amino-5-hydroxy-naphthalene-2,7-disulfonate
CAS Name: disodium 4-amino-5-hydroxynaphthalene-2,7-disulfonate
IUPAC NAME: disodium 4-amino-5-hydroxynaphthalene-2,7-disulfonate
SYSTEMATIC NAME: disodium 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C10H7NNa2O7S2
MOLECULAR WEIGHT: 363.27462
SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)O)S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 4-bromo-2-chloro-phenol
CAS Name: 4-bromo-2-chlorophenol
IUPAC NAME: 4-bromo-2-chlorophenol
SYSTEMATIC NAME: 4-bromanyl-2-chloranyl-phenol
MOLECULAR FORMULA: C6H4BrClO
MOLECULAR WEIGHT: 207.45236
SMILES: C1=CC(=C(C=C1Br)Cl)O
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Product OPENEYE NAME: 3-chloro-4-hydroxy-benzoic acid
CAS Name: 3-chloro-4-hydroxybenzoic acid
IUPAC NAME: 3-chloro-4-hydroxybenzoic acid
SYSTEMATIC NAME: 3-chloranyl-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5ClO3
MOLECULAR WEIGHT: 172.5658
SMILES: C1=CC(=C(C=C1C(=O)O)Cl)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2
MOLECULAR WEIGHT: 290.40208
SMILES: CN1CCC(=C2C3=CC=CC=C3CCC4=C2N=CC=C4)CC1
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Product OPENEYE NAME: (2-butoxy-1-methyl-ethyl) 2-(2,4-dichlorophenoxy)acetate
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid 1-butoxypropan-2-yl ester
IUPAC NAME: 1-butoxypropan-2-yl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: 1-butoxypropan-2-yl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C15H20Cl2O4
MOLECULAR WEIGHT: 335.2229
SMILES: CCCCOCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
CAS Name: 3-phenylpropanoic acid 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl ester
IUPAC NAME: 3-[(8R,9S,13S,14S,17S)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
SYSTEMATIC NAME: 3-[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]prop-2-ynyl 3-phenylpropanoate
MOLECULAR FORMULA: C31H36O4
MOLECULAR WEIGHT: 472.61514
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CCOC(=O)CCC4=CC=CC=C4)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: N-oxido-3-phenyl-prop-2-enamide
CAS Name: N-oxido-3-phenyl-2-propenamide
IUPAC NAME: N-oxido-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-oxidanidyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C9H8NO2-
MOLECULAR WEIGHT: 162.16532
SMILES: C1=CC=C(C=C1)C=CC(=O)N[O-]
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Product OPENEYE NAME: 2-[7-bromo-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethyl-ammonium chloride
CAS Name: 2-[7-bromo-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-1-yl]ethyl-diethylammonium chloride
IUPAC NAME: 2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-(7-bromanyl-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C20H24BrClN4O
MOLECULAR WEIGHT: 451.78776
SMILES: CC[NH+](CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3.[Cl-]
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Product OPENEYE NAME: 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-one
CAS Name: 7-bromo-1-[2-(diethylamino)ethyl]-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-bromo-1-[2-(diethylamino)ethyl]-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-bromanyl-1-[2-(diethylamino)ethyl]-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C20H23BrN4O
MOLECULAR WEIGHT: 415.32682
SMILES: CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=N3
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Product OPENEYE NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CAS Name: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
IUPAC NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC1CC(=O)NC2=CC=CC=C2N1
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Product OPENEYE NAME: 4,5-dichloro-1,3-dioxolan-2-one
CAS Name: 4,5-dichloro-1,3-dioxolan-2-one
IUPAC NAME: 4,5-dichloro-1,3-dioxolan-2-one
SYSTEMATIC NAME: 4,5-bis(chloranyl)-1,3-dioxolan-2-one
MOLECULAR FORMULA: C3H2Cl2O3
MOLECULAR WEIGHT: 156.95218
SMILES: C1(C(OC(=O)O1)Cl)Cl
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Product OPENEYE NAME: 2-chloro-3-nitro-benzoic acid
CAS Name: 2-chloro-3-nitrobenzoic acid
IUPAC NAME: 2-chloro-3-nitrobenzoic acid
SYSTEMATIC NAME: 2-chloranyl-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H4ClNO4
MOLECULAR WEIGHT: 201.56396
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
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Product OPENEYE NAME: 2,2-dimethylpentan-3-ol
CAS Name: 2,2-dimethyl-3-pentanol
IUPAC NAME: 2,2-dimethylpentan-3-ol
SYSTEMATIC NAME: 2,2-dimethylpentan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(C(C)(C)C)O
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Product OPENEYE NAME: 2-ethyloctanedioic acid
CAS Name: 2-ethyloctanedioic acid
IUPAC NAME: 2-ethyloctanedioic acid
SYSTEMATIC NAME: 2-ethyloctanedioic acid
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CCC(CCCCCC(=O)O)C(=O)O
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Product OPENEYE NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2,3,4-trimethylphenyl) ester
IUPAC NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2,3,4-trimethylphenyl) N-methylcarbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CC1=C(C(=C(C=C1)OC(=O)NC)C)C
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Product OPENEYE NAME: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
CAS Name: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
IUPAC NAME: 1-iodo-4-[2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzene
SYSTEMATIC NAME: 1-iodanyl-4-[2,2,2-tris(chloranyl)-1-(4-iodophenyl)ethyl]benzene
MOLECULAR FORMULA: C14H9Cl3I2
MOLECULAR WEIGHT: 537.3892
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)I)C(Cl)(Cl)Cl)I
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