Product OPENEYE NAME: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
CAS Name: 3,4,5-trimethoxybenzoic acid [4-(1-piperidin-1-iumyl)cyclohexyl] ester chloride
IUPAC NAME: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
SYSTEMATIC NAME: (4-piperidin-1-ium-1-ylcyclohexyl) 3,4,5-trimethoxybenzoate chloride
MOLECULAR FORMULA: C21H32ClNO5
MOLECULAR WEIGHT: 413.93548
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC(CC2)[NH+]3CCCCC3.[Cl-]
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Product OPENEYE NAME: dodecan-3-one
CAS Name: 3-dodecanone
IUPAC NAME: dodecan-3-one
SYSTEMATIC NAME: dodecan-3-one
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CCCCCCCCCC(=O)CC
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Product OPENEYE NAME: 1-fluoro-5-isothiocyanato-pentane
CAS Name: 1-fluoro-5-isothiocyanatopentane
IUPAC NAME: 1-fluoro-5-isothiocyanatopentane
SYSTEMATIC NAME: 1-fluoranyl-5-isothiocyanato-pentane
MOLECULAR FORMULA: C6H10FNS
MOLECULAR WEIGHT: 147.213703
SMILES: C(CCN=C=S)CCF
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Product OPENEYE NAME: 2-chloroethyl 2-fluoroacetate
CAS Name: 2-fluoroacetic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl 2-fluoroacetate
SYSTEMATIC NAME: 2-chloroethyl 2-fluoranylethanoate
MOLECULAR FORMULA: C4H6ClFO2
MOLECULAR WEIGHT: 140.540643
SMILES: C(CCl)OC(=O)CF
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Product OPENEYE NAME: N,N'-dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: N,N'-dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: N,N'-bis(phenylmethyl)ethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C48H56N6O8S2
MOLECULAR WEIGHT: 909.12364
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
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Product OPENEYE NAME: butyl N-phenylcarbamate
CAS Name: N-phenylcarbamic acid butyl ester
IUPAC NAME: butyl N-phenylcarbamate
SYSTEMATIC NAME: butyl N-phenylcarbamate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCCCOC(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: 2,2-dimethylpropanoyl 2,2-dimethylpropanoate
CAS Name: 2,2-dimethylpropanoic acid (2,2-dimethyl-1-oxopropyl) ester
IUPAC NAME: 2,2-dimethylpropanoyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 2,2-dimethylpropanoyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C10H18O3
MOLECULAR WEIGHT: 186.24812
SMILES: CC(C)(C)C(=O)OC(=O)C(C)(C)C
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Product OPENEYE NAME: 3-isopropylpentane-2,4-dione
CAS Name: 3-propan-2-ylpentane-2,4-dione
IUPAC NAME: 3-propan-2-ylpentane-2,4-dione
SYSTEMATIC NAME: 3-propan-2-ylpentane-2,4-dione
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: CC(C)C(C(=O)C)C(=O)C
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Product OPENEYE NAME: 7-methyl-6H-thiochromeno[4,3-b]quinoline
CAS Name: 7-methyl-6H-thiochromeno[4,3-b]quinoline
IUPAC NAME: 7-methyl-6H-thiochromeno[4,3-b]quinoline
SYSTEMATIC NAME: 7-methyl-6H-thiochromeno[4,3-b]quinoline
MOLECULAR FORMULA: C17H13NS
MOLECULAR WEIGHT: 263.35682
SMILES: CC1=C2CSC3=CC=CC=C3C2=NC4=CC=CC=C14
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Product OPENEYE NAME: dodecylidene-bis(2-hydroxyethyl)ammonium
CAS Name: dodecylidene-bis(2-hydroxyethyl)ammonium
IUPAC NAME: dodecylidene-bis(2-hydroxyethyl)azanium
SYSTEMATIC NAME: dodecylidene-bis(2-hydroxyethyl)azanium
MOLECULAR FORMULA: C16H34NO2+
MOLECULAR WEIGHT: 272.44666
SMILES: CCCCCCCCCCCC=[N+](CCO)CCO
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
MOLECULAR FORMULA: C11H14Cl2FN
MOLECULAR WEIGHT: 250.139963
SMILES: C1=CC(=CC(=C1)F)CN(CCCl)CCCl
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]ethanamine
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]ethanamine
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]ethanamine
MOLECULAR FORMULA: C11H14Cl2FN
MOLECULAR WEIGHT: 250.139963
SMILES: C1=CC=C(C(=C1)CN(CCCl)CCCl)F
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]ethanamine
MOLECULAR FORMULA: C11H14Cl2FN
MOLECULAR WEIGHT: 250.139963
SMILES: C1=CC(=CC=C1CN(CCCl)CCCl)F
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Product OPENEYE NAME: 1-fluoro-4-isothiocyanato-benzene
CAS Name: 1-fluoro-4-isothiocyanatobenzene
IUPAC NAME: 1-fluoro-4-isothiocyanatobenzene
SYSTEMATIC NAME: 1-fluoranyl-4-isothiocyanato-benzene
MOLECULAR FORMULA: C7H4FNS
MOLECULAR WEIGHT: 153.176763
SMILES: C1=CC(=CC=C1N=C=S)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H29F3O5
MOLECULAR WEIGHT: 454.47927
SMILES: CC1(O[C@@H]2CC3C4C[C@@H](C5=CC(=O)C=CC5([C@]4(C(CC3([C@@]2(O1)C(=O)CF)C)O)F)C)F)C
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