Product OPENEYE NAME: diallyl hexanedioate
CAS Name: hexanedioic acid bis(prop-2-enyl) ester
IUPAC NAME: bis(prop-2-enyl) hexanedioate
SYSTEMATIC NAME: bis(prop-2-enyl) hexanedioate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
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Product OPENEYE NAME: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
CAS Name: N,N-bis(2-chloroethyl)carbamic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester
IUPAC NAME: (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
SYSTEMATIC NAME: (13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
MOLECULAR FORMULA: C23H31Cl2NO3
MOLECULAR WEIGHT: 440.40314
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
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Product OPENEYE NAME: magnesium carbanide
CAS Name: magnesium carbanide
IUPAC NAME: magnesium carbanide
SYSTEMATIC NAME: magnesium carbanide
MOLECULAR FORMULA: C2H6Mg
MOLECULAR WEIGHT: 54.37404
SMILES: [CH3-].[CH3-].[Mg+2]
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C27H36O3
MOLECULAR WEIGHT: 408.57294
SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C
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Product OPENEYE NAME: 3,4-dichlorothiolane 1,1-dioxide
CAS Name: 3,4-dichlorothiolane 1,1-dioxide
IUPAC NAME: 3,4-dichlorothiolane 1,1-dioxide
SYSTEMATIC NAME: 3,4-bis(chloranyl)thiolane 1,1-dioxide
MOLECULAR FORMULA: C4H6Cl2O2S
MOLECULAR WEIGHT: 189.06024
SMILES: C1C(C(CS1(=O)=O)Cl)Cl
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Product OPENEYE NAME: 4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one
CAS Name: 4,5-dihydroxy-1,3-bis(methoxymethyl)-2-imidazolidinone
IUPAC NAME: 4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one
SYSTEMATIC NAME: 1,3-bis(methoxymethyl)-4,5-bis(oxidanyl)imidazolidin-2-one
MOLECULAR FORMULA: C7H14N2O5
MOLECULAR WEIGHT: 206.19646
SMILES: COCN1C(C(N(C1=O)COC)O)O
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Product OPENEYE NAME: octane-2-thiol
CAS Name: 2-octanethiol
IUPAC NAME: octane-2-thiol
SYSTEMATIC NAME: octane-2-thiol
MOLECULAR FORMULA: C8H18S
MOLECULAR WEIGHT: 146.29352
SMILES: CCCCCCC(C)S
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Product OPENEYE NAME: 2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
CAS Name: octadecanoic acid 2-[bis[2-(1-oxooctadecoxy)ethyl]amino]ethyl ester
IUPAC NAME: 2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
SYSTEMATIC NAME: 2-[bis(2-octadecanoyloxyethyl)amino]ethyl octadecanoate
MOLECULAR FORMULA: C60H117NO6
MOLECULAR WEIGHT: 948.57408
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: 3-[1-hydroxy-2-(methylamino)propyl]phenol
CAS Name: 3-[1-hydroxy-2-(methylamino)propyl]phenol
IUPAC NAME: 3-[1-hydroxy-2-(methylamino)propyl]phenol
SYSTEMATIC NAME: 3-[2-(methylamino)-1-oxidanyl-propyl]phenol
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC(C(C1=CC(=CC=C1)O)O)NC
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Product OPENEYE NAME: 4-nitrophenolate; tetrabutylammonium
CAS Name: 4-nitrophenolate; tetrabutylammonium
IUPAC NAME: 4-nitrophenolate; tetrabutylazanium
SYSTEMATIC NAME: 4-nitrophenolate; tetrabutylazanium
MOLECULAR FORMULA: C22H40N2O3
MOLECULAR WEIGHT: 380.5646
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=CC=C1[N+](=O)[O-])[O-]
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Product OPENEYE NAME: lanthanum(3+) citrate
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; lanthanum(3+)
IUPAC NAME: 2-hydroxypropane-1,2,3-tricarboxylate; lanthanum(3+)
SYSTEMATIC NAME: lanthanum(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5LaO7
MOLECULAR WEIGHT: 328.0052
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[La+3]
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Product OPENEYE NAME: 2-(chloromethyl)tetrahydrofuran
CAS Name: 2-(chloromethyl)oxolane
IUPAC NAME: 2-(chloromethyl)oxolane
SYSTEMATIC NAME: 2-(chloromethyl)oxolane
MOLECULAR FORMULA: C5H9ClO
MOLECULAR WEIGHT: 120.57736
SMILES: C1CC(OC1)CCl
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Product OPENEYE NAME: N2,N2-diethyl-N4-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CAS Name: N2,N2-diethyl-6-methoxy-N4-propan-2-yl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N,2-N-diethyl-6-methoxy-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N2-diethyl-6-methoxy-N4-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H21N5O
MOLECULAR WEIGHT: 239.31734
SMILES: CCN(CC)C1=NC(=NC(=N1)NC(C)C)OC
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Product OPENEYE NAME: 6-chloro-N2-isopropyl-N4-methyl-1,3,5-triazine-2,4-diamine
CAS Name: 6-chloro-N4-methyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6-chloro-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N4-methyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C7H12ClN5
MOLECULAR WEIGHT: 201.65668
SMILES: CC(C)NC1=NC(=NC(=N1)NC)Cl
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Product OPENEYE NAME: 2-(3,6-dichloro-2-methoxy-phenyl)acetic acid
CAS Name: 2-(3,6-dichloro-2-methoxyphenyl)acetic acid
IUPAC NAME: 2-(3,6-dichloro-2-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-[3,6-bis(chloranyl)-2-methoxy-phenyl]ethanoic acid
MOLECULAR FORMULA: C9H8Cl2O3
MOLECULAR WEIGHT: 235.06402
SMILES: COC1=C(C=CC(=C1CC(=O)O)Cl)Cl
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Product OPENEYE NAME: 3,4-dibromo-1-methyl-pyrrole-2,5-dione
CAS Name: 3,4-dibromo-1-methylpyrrole-2,5-dione
IUPAC NAME: 3,4-dibromo-1-methylpyrrole-2,5-dione
SYSTEMATIC NAME: 3,4-bis(bromanyl)-1-methyl-pyrrole-2,5-dione
MOLECULAR FORMULA: C5H3Br2NO2
MOLECULAR WEIGHT: 268.89082
SMILES: CN1C(=O)C(=C(C1=O)Br)Br
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Product OPENEYE NAME: 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CAS Name: 1-[3-(2,5-dioxo-1-pyrrolyl)phenyl]pyrrole-2,5-dione
IUPAC NAME: 1-[3-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
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Product OPENEYE NAME: N-dodecyldodecan-1-amine
CAS Name: N-dodecyl-1-dodecanamine
IUPAC NAME: N-dodecyldodecan-1-amine
SYSTEMATIC NAME: N-dodecyldodecan-1-amine
MOLECULAR FORMULA: C24H51N
MOLECULAR WEIGHT: 353.66844
SMILES: CCCCCCCCCCCCNCCCCCCCCCCCC
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Product OPENEYE NAME: 4-methylquinolin-1-ium chloride
CAS Name: 4-methylquinolin-1-ium chloride
IUPAC NAME: 4-methylquinolin-1-ium chloride
SYSTEMATIC NAME: 4-methylquinolin-1-ium chloride
MOLECULAR FORMULA: C10H10ClN
MOLECULAR WEIGHT: 179.6461
SMILES: CC1=CC=[NH+]C2=CC=CC=C12.[Cl-]
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Product OPENEYE NAME: N,N-dimethyldodecanamide
CAS Name: N,N-dimethyldodecanamide
IUPAC NAME: N,N-dimethyldodecanamide
SYSTEMATIC NAME: N,N-dimethyldodecanamide
MOLECULAR FORMULA: C14H29NO
MOLECULAR WEIGHT: 227.38616
SMILES: CCCCCCCCCCCC(=O)N(C)C
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Product OPENEYE NAME: 4-(4-methoxyphenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(4-methoxyphenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(4-methoxyphenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 4-(2-methoxyphenyl)azo-N,N-dimethyl-aniline
CAS Name: 4-(2-methoxyphenyl)azo-N,N-dimethylaniline
IUPAC NAME: 4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[(2-methoxyphenyl)diazenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2OC
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Product OPENEYE NAME: cyanomethyl-diethyl-methyl-ammonium iodide
CAS Name: cyanomethyl-diethyl-methylammonium iodide
IUPAC NAME: cyanomethyl-diethyl-methylazanium iodide
SYSTEMATIC NAME: cyanomethyl-diethyl-methyl-azanium iodide
MOLECULAR FORMULA: C7H15IN2
MOLECULAR WEIGHT: 254.11187
SMILES: CC[N+](C)(CC)CC#N.[I-]
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Product OPENEYE NAME: cyanomethyl-diethyl-methyl-ammonium
CAS Name: cyanomethyl-diethyl-methylammonium
IUPAC NAME: cyanomethyl-diethyl-methylazanium
SYSTEMATIC NAME: cyanomethyl-diethyl-methyl-azanium
MOLECULAR FORMULA: C7H15N2+
MOLECULAR WEIGHT: 127.2074
SMILES: CC[N+](C)(CC)CC#N
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