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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