Product OPENEYE NAME: 2-(disulfanyl)-1-methyl-imidazole
CAS Name: 2-(disulfanyl)-1-methylimidazole
IUPAC NAME: 2-(disulfanyl)-1-methylimidazole
SYSTEMATIC NAME: 2-(disulfanyl)-1-methyl-imidazole
MOLECULAR FORMULA: C4H6N2S2
MOLECULAR WEIGHT: 146.23384
SMILES: CN1C=CN=C1SS
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Product OPENEYE NAME: 2-phenylcyclohexa-1,3-diene-1-carboxylic acid
CAS Name: 2-phenyl-1-cyclohexa-1,3-dienecarboxylic acid
IUPAC NAME: 2-phenylcyclohexa-1,3-diene-1-carboxylic acid
SYSTEMATIC NAME: 2-phenylcyclohexa-1,3-diene-1-carboxylic acid
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: C1CC(=C(C=C1)C2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 1-pyrrol-1-ylethanethiol
CAS Name: 1-(1-pyrrolyl)ethanethiol
IUPAC NAME: 1-pyrrol-1-ylethanethiol
SYSTEMATIC NAME: 1-pyrrol-1-ylethanethiol
MOLECULAR FORMULA: C6H9NS
MOLECULAR WEIGHT: 127.20736
SMILES: CC(N1C=CC=C1)S
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Product OPENEYE NAME: 3-(5-amino-1H-1,2,4-triazol-3-yl)-2H-1,3,4-thiadiazol-5-amine
CAS Name: 3-(5-amino-1H-1,2,4-triazol-3-yl)-2H-1,3,4-thiadiazol-5-amine
IUPAC NAME: 3-(5-amino-1H-1,2,4-triazol-3-yl)-2H-1,3,4-thiadiazol-5-amine
SYSTEMATIC NAME: 3-(5-azanyl-1H-1,2,4-triazol-3-yl)-2H-1,3,4-thiadiazol-5-amine
MOLECULAR FORMULA: C4H7N7S
MOLECULAR WEIGHT: 185.21028
SMILES: C1N(N=C(S1)N)C2=NNC(=N2)N
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Product OPENEYE NAME: tributyl(fluoro)ammonium
CAS Name: tributyl(fluoro)ammonium
IUPAC NAME: tributyl(fluoro)azanium
SYSTEMATIC NAME: tributyl(fluoranyl)azanium
MOLECULAR FORMULA: C12H27FN+
MOLECULAR WEIGHT: 204.347883
SMILES: CCCC[N+](CCCC)(CCCC)F
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Product OPENEYE NAME: but-3-enylphosphonic acid
CAS Name: but-3-enylphosphonic acid
IUPAC NAME: but-3-enylphosphonic acid
SYSTEMATIC NAME: but-3-enylphosphonic acid
MOLECULAR FORMULA: C4H9O3P
MOLECULAR WEIGHT: 136.086221
SMILES: C=CCCP(=O)(O)O
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Product OPENEYE NAME: 2-chloro-4-isopropyl-1-nitro-benzene
CAS Name: 2-chloro-1-nitro-4-propan-2-ylbenzene
IUPAC NAME: 2-chloro-1-nitro-4-propan-2-ylbenzene
SYSTEMATIC NAME: 2-chloranyl-1-nitro-4-propan-2-yl-benzene
MOLECULAR FORMULA: C9H10ClNO2
MOLECULAR WEIGHT: 199.6342
SMILES: CC(C)C1=CC(=C(C=C1)[N+](=O)[O-])Cl
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Product OPENEYE NAME: (2-oxocyclopentyl) (E)-2-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)hept-5-enoate
CAS Name: (E)-2-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-5-heptenoic acid (2-oxocyclopentyl) ester
IUPAC NAME: (2-oxocyclopentyl) (E)-2-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)hept-5-enoate
SYSTEMATIC NAME: (2-oxidanylidenecyclopentyl) (E)-2-oxidanyl-2-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoate
MOLECULAR FORMULA: C21H28O7
MOLECULAR WEIGHT: 392.44282
SMILES: C/C=C/CCC(C(=O)OC1CCCC1=O)(O)OCC(COC2=CC=CC=C2)O
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Product OPENEYE NAME: (2-oxocyclopentyl) (E)-3-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)-2-phenyl-hept-4-enoate
CAS Name: (E)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-2-phenyl-4-heptenoic acid (2-oxocyclopentyl) ester
IUPAC NAME: (2-oxocyclopentyl) (E)-3-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-2-phenylhept-4-enoate
SYSTEMATIC NAME: (2-oxidanylidenecyclopentyl) (E)-3-oxidanyl-2-(2-oxidanyl-3-phenoxy-propoxy)-2-phenyl-hept-4-enoate
MOLECULAR FORMULA: C27H32O7
MOLECULAR WEIGHT: 468.53878
SMILES: CC/C=C/C(C(C1=CC=CC=C1)(C(=O)OC2CCCC2=O)OCC(COC3=CC=CC=C3)O)O
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Product OPENEYE NAME: phenyl (E)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-4-enoate
CAS Name: (E)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-4-heptenoic acid phenyl ester
IUPAC NAME: phenyl (E)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-4-enoate
SYSTEMATIC NAME: phenyl (E)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-4-enoate
MOLECULAR FORMULA: C27H32O7
MOLECULAR WEIGHT: 468.53878
SMILES: C1CC(C(=O)C1)/C(=C/C(CC(=O)OC2=CC=CC=C2)OCC(COC3=CC=CC=C3)O)/CCO
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Product OPENEYE NAME: (E)-2-(2-hydroxy-3-phenoxy-propoxy)-2-(2-oxocyclopentyl)hept-5-enoic acid
CAS Name: (E)-2-(2-hydroxy-3-phenoxypropoxy)-2-(2-oxocyclopentyl)-5-heptenoic acid
IUPAC NAME: (E)-2-(2-hydroxy-3-phenoxypropoxy)-2-(2-oxocyclopentyl)hept-5-enoic acid
SYSTEMATIC NAME: (E)-2-(2-oxidanylidenecyclopentyl)-2-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoic acid
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: C/C=C/CCC(C1CCCC1=O)(C(=O)O)OCC(COC2=CC=CC=C2)O
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Product OPENEYE NAME: (2-benzamidophenyl) (E)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-4-enoate
CAS Name: (E)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-4-heptenoic acid (2-benzamidophenyl) ester
IUPAC NAME: (2-benzamidophenyl) (E)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-4-enoate
SYSTEMATIC NAME: (2-benzamidophenyl) (E)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-4-enoate
MOLECULAR FORMULA: C34H37NO8
MOLECULAR WEIGHT: 587.65948
SMILES: C1CC(C(=O)C1)/C(=C/C(CC(=O)OC2=CC=CC=C2NC(=O)C3=CC=CC=C3)OCC(COC4=CC=CC=C4)O)/CCO
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Product OPENEYE NAME: (2-benzamidophenyl) (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxy-propoxy)-5-(2-oxocyclopentyl)hept-5-enoate
CAS Name: (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)-5-heptenoic acid (2-benzamidophenyl) ester
IUPAC NAME: (2-benzamidophenyl) (Z)-7-hydroxy-3-(2-hydroxy-3-phenoxypropoxy)-5-(2-oxocyclopentyl)hept-5-enoate
SYSTEMATIC NAME: (2-benzamidophenyl) (Z)-7-oxidanyl-5-(2-oxidanylidenecyclopentyl)-3-(2-oxidanyl-3-phenoxy-propoxy)hept-5-enoate
MOLECULAR FORMULA: C34H37NO8
MOLECULAR WEIGHT: 587.65948
SMILES: C1CC(C(=O)C1)/C(=C\CO)/CC(CC(=O)OC2=CC=CC=C2NC(=O)C3=CC=CC=C3)OCC(COC4=CC=CC=C4)O
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Product OPENEYE NAME: (2-oxocyclopentyl) (E)-2-hydroxy-2-(2-hydroxy-3-phenoxy-propoxy)non-7-enoate
CAS Name: (E)-2-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)-7-nonenoic acid (2-oxocyclopentyl) ester
IUPAC NAME: (2-oxocyclopentyl) (E)-2-hydroxy-2-(2-hydroxy-3-phenoxypropoxy)non-7-enoate
SYSTEMATIC NAME: (2-oxidanylidenecyclopentyl) (E)-2-oxidanyl-2-(2-oxidanyl-3-phenoxy-propoxy)non-7-enoate
MOLECULAR FORMULA: C23H32O7
MOLECULAR WEIGHT: 420.49598
SMILES: C/C=C/CCCCC(C(=O)OC1CCCC1=O)(O)OCC(COC2=CC=CC=C2)O
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Product OPENEYE NAME: 1-pyrimidin-5-ylpropan-1-ol
CAS Name: 1-(5-pyrimidinyl)-1-propanol
IUPAC NAME: 1-pyrimidin-5-ylpropan-1-ol
SYSTEMATIC NAME: 1-pyrimidin-5-ylpropan-1-ol
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CCC(C1=CN=CN=C1)O
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Product OPENEYE NAME: (2,4-diisopropylpyrimidin-5-yl)methanol
CAS Name: [2,4-di(propan-2-yl)-5-pyrimidinyl]methanol
IUPAC NAME: [2,4-di(propan-2-yl)pyrimidin-5-yl]methanol
SYSTEMATIC NAME: [2,4-di(propan-2-yl)pyrimidin-5-yl]methanol
MOLECULAR FORMULA: C11H18N2O
MOLECULAR WEIGHT: 194.27342
SMILES: CC(C)C1=NC(=NC=C1CO)C(C)C
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Product OPENEYE NAME: 8-cyclopropyloctane-3,5-dione
CAS Name: 8-cyclopropyloctane-3,5-dione
IUPAC NAME: 8-cyclopropyloctane-3,5-dione
SYSTEMATIC NAME: 8-cyclopropyloctane-3,5-dione
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCC(=O)CC(=O)CCCC1CC1
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Product OPENEYE NAME: 1-chloropent-1-yne
CAS Name: 1-chloro-1-pentyne
IUPAC NAME: 1-chloropent-1-yne
SYSTEMATIC NAME: 1-chloranylpent-1-yne
MOLECULAR FORMULA: C5H7Cl
MOLECULAR WEIGHT: 102.56208
SMILES: CCCC#CCl
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Product OPENEYE NAME: 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethyl)pyridin-2-one
CAS Name: 5-bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 5-bromo-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 5-bromanyl-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C12H4BrClF6N2O
MOLECULAR WEIGHT: 421.520379
SMILES: C1=C(C=NC(=C1Cl)N2C=C(C(=CC2=O)C(F)(F)F)Br)C(F)(F)F
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Product OPENEYE NAME: 1-[3-bromo-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethyl)pyridin-2-one
CAS Name: 1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 1-[3-bromo-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 1-[3-bromanyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C12H5BrF6N2O
MOLECULAR WEIGHT: 387.075319
SMILES: C1=CN(C(=O)C=C1C(F)(F)F)C2=C(C=C(C=N2)C(F)(F)F)Br
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Product OPENEYE NAME: 4-[chloro(difluoro)methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]pyridin-2-one
CAS Name: 4-[chloro(difluoro)methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyridinone
IUPAC NAME: 4-[chloro(difluoro)methyl]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
SYSTEMATIC NAME: 4-[chloranyl-bis(fluoranyl)methyl]-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
MOLECULAR FORMULA: C12H5Cl2F5N2O
MOLECULAR WEIGHT: 359.078916
SMILES: C1=CN(C(=O)C=C1C(F)(F)Cl)C2=C(C=C(C=N2)C(F)(F)F)Cl
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Product OPENEYE NAME: 1-[3-amino-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethyl)pyridin-2-one
CAS Name: 1-[3-amino-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 1-[3-amino-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 1-[3-azanyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C12H7F6N3O
MOLECULAR WEIGHT: 323.193899
SMILES: C1=CN(C(=O)C=C1C(F)(F)F)C2=C(C=C(C=N2)C(F)(F)F)N
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Product OPENEYE NAME: 1-[3-nitro-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethyl)pyridin-2-one
CAS Name: 1-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 1-[3-nitro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 1-[3-nitro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C12H5F6N3O3
MOLECULAR WEIGHT: 353.176819
SMILES: C1=CN(C(=O)C=C1C(F)(F)F)C2=C(C=C(C=N2)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-(trifluoromethyl)pyridin-2-one
CAS Name: 5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 5-chloranyl-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C12H4Cl2F6N2O
MOLECULAR WEIGHT: 377.069379
SMILES: C1=C(C=NC(=C1Cl)N2C=C(C(=CC2=O)C(F)(F)F)Cl)C(F)(F)F
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