Product OPENEYE NAME: 5-methoxy-1-prop-2-enoyl-indoline-2-carboxylic acid
CAS Name: 5-methoxy-1-(1-oxoprop-2-enyl)-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 5-methoxy-1-prop-2-enoyl-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1-prop-2-enoyl-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C13H13NO4
MOLECULAR WEIGHT: 247.24662
SMILES: COC1=CC2=C(C=C1)N(C(C2)C(=O)O)C(=O)C=C
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Product OPENEYE NAME: 9-methoxy-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
CAS Name: 9-methoxy-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
IUPAC NAME: 9-methoxy-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
SYSTEMATIC NAME: 9-methoxy-4-methyl-3,4,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole-1,5-dione
MOLECULAR FORMULA: C14H15NO3S
MOLECULAR WEIGHT: 277.3388
SMILES: CC1CSC(=O)C2CC3=C(N2C1=O)C=CC(=C3)OC
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Product OPENEYE NAME: 1-(2-methylprop-2-enoyl)-2,4,5,6-tetrahydroindole-2-carboxylic acid
CAS Name: 1-(2-methyl-1-oxoprop-2-enyl)-2,4,5,6-tetrahydroindole-2-carboxylic acid
IUPAC NAME: 1-(2-methylprop-2-enoyl)-2,4,5,6-tetrahydroindole-2-carboxylic acid
SYSTEMATIC NAME: 1-(2-methylprop-2-enoyl)-2,4,5,6-tetrahydroindole-2-carboxylic acid
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC(=C)C(=O)N1C(C=C2C1=CCCC2)C(=O)O
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Product OPENEYE NAME: 10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
CAS Name: 10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
IUPAC NAME: 10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
SYSTEMATIC NAME: 10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
MOLECULAR FORMULA: C11H11NS
MOLECULAR WEIGHT: 189.27674
SMILES: C1C2CSC=CN2C3=CC=CC=C31
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Product OPENEYE NAME: 3-methyl-10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
CAS Name: 3-methyl-10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
IUPAC NAME: 3-methyl-10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
SYSTEMATIC NAME: 3-methyl-10,10a-dihydro-1H-[1,4]thiazino[4,3-a]indole
MOLECULAR FORMULA: C12H13NS
MOLECULAR WEIGHT: 203.30332
SMILES: CC1=CN2C(CC3=CC=CC=C32)CS1
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Product OPENEYE NAME: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole
CAS Name: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole
IUPAC NAME: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole
SYSTEMATIC NAME: 1,3,11,11a-tetrahydro-[1,4]thiazepino[4,3-a]indole
MOLECULAR FORMULA: C12H13NS
MOLECULAR WEIGHT: 203.30332
SMILES: C1C=CN2C(CC3=CC=CC=C32)CS1
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Product OPENEYE NAME: 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid
CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid
IUPAC NAME: 5-methoxy-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid
MOLECULAR FORMULA: C14H17NO4S
MOLECULAR WEIGHT: 295.35408
SMILES: CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O
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Product OPENEYE NAME: butanal; S-chloro benzenecarbothioate
CAS Name: benzenecarbothioic acid S-chloro ester; butanal
IUPAC NAME: butanal; S-chloro benzenecarbothioate
SYSTEMATIC NAME: butanal; S-chloranyl benzenecarbothioate
MOLECULAR FORMULA: C11H13ClO2S
MOLECULAR WEIGHT: 244.73772
SMILES: CCCC=O.C1=CC=C(C=C1)C(=O)SCl
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Product OPENEYE NAME: methyl 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]prop-2-enoate
CAS Name: 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]-2-propenoic acid methyl ester
IUPAC NAME: methyl 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]prop-2-enoate
SYSTEMATIC NAME: methyl 2-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]prop-2-enoate
MOLECULAR FORMULA: C12H28O6Si4
MOLECULAR WEIGHT: 380.68912
SMILES: COC(=O)C(=C)C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C
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Product OPENEYE NAME: 3-[dimethyl(trimethylsilyloxy)silyl]-3-propoxy-propane-1,2-diol
CAS Name: 3-[dimethyl(trimethylsilyloxy)silyl]-3-propoxypropane-1,2-diol
IUPAC NAME: 3-[dimethyl(trimethylsilyloxy)silyl]-3-propoxypropane-1,2-diol
SYSTEMATIC NAME: 3-[dimethyl(trimethylsilyloxy)silyl]-3-propoxy-propane-1,2-diol
MOLECULAR FORMULA: C11H28O4Si2
MOLECULAR WEIGHT: 280.50862
SMILES: CCCOC(C(CO)O)[Si](C)(C)O[Si](C)(C)C
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Product OPENEYE NAME: dimethoxysilicon; 2-vinylphenol
CAS Name: dimethoxysilicon; 2-ethenylphenol
IUPAC NAME: dimethoxysilicon; 2-ethenylphenol
SYSTEMATIC NAME: dimethoxysilicon; 2-ethenylphenol
MOLECULAR FORMULA: C10H14O3Si
MOLECULAR WEIGHT: 210.30186
SMILES: CO[Si]OC.C=CC1=CC=CC=C1O
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Product OPENEYE NAME: triheptyl 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylate
CAS Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid triheptyl ester
IUPAC NAME: triheptyl 2-hydroxy-4-oxopentane-1,2,3-tricarboxylate
SYSTEMATIC NAME: triheptyl 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C29H52O8
MOLECULAR WEIGHT: 528.71838
SMILES: CCCCCCCOC(=O)CC(C(C(=O)C)C(=O)OCCCCCCC)(C(=O)OCCCCCCC)O
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Product OPENEYE NAME: 2-[2-aminoethoxy(ethyl)amino]ethanol
CAS Name: 2-[2-aminoethoxy(ethyl)amino]ethanol
IUPAC NAME: 2-[2-aminoethoxy(ethyl)amino]ethanol
SYSTEMATIC NAME: 2-[2-azanylethoxy(ethyl)amino]ethanol
MOLECULAR FORMULA: C6H16N2O2
MOLECULAR WEIGHT: 148.20344
SMILES: CCN(CCO)OCCN
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Product OPENEYE NAME: 2-(2-aminoethoxy)pent-4-en-1-amine
CAS Name: 2-(2-aminoethoxy)-4-penten-1-amine
IUPAC NAME: 2-(2-aminoethoxy)pent-4-en-1-amine
SYSTEMATIC NAME: 2-(2-azanylethoxy)pent-4-en-1-amine
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: C=CCC(CN)OCCN
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Product OPENEYE NAME: (E)-2-(2-aminoethoxy)pent-3-en-1-amine
CAS Name: (E)-2-(2-aminoethoxy)-3-penten-1-amine
IUPAC NAME: (E)-2-(2-aminoethoxy)pent-3-en-1-amine
SYSTEMATIC NAME: (E)-2-(2-azanylethoxy)pent-3-en-1-amine
MOLECULAR FORMULA: C7H16N2O
MOLECULAR WEIGHT: 144.21474
SMILES: C/C=C/C(CN)OCCN
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Product OPENEYE NAME: 1,1-bis(hydroxymethyl)thiourea
CAS Name: 1,1-bis(hydroxymethyl)thiourea
IUPAC NAME: 1,1-bis(hydroxymethyl)thiourea
SYSTEMATIC NAME: 1,1-bis(hydroxymethyl)thiourea
MOLECULAR FORMULA: C3H8N2O2S
MOLECULAR WEIGHT: 136.17282
SMILES: C(N(CO)C(=S)N)O
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Product OPENEYE NAME: propane-1,2-diol; tetrahydrofuran
CAS Name: oxolane; propane-1,2-diol
IUPAC NAME: oxolane; propane-1,2-diol
SYSTEMATIC NAME: oxolane; propane-1,2-diol
MOLECULAR FORMULA: C7H16O3
MOLECULAR WEIGHT: 148.20014
SMILES: CC(CO)O.C1CCOC1
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Product OPENEYE NAME: 1-[2,6-dichloro-4-[1-[3,5-dichloro-4-(2-hydroxypropoxy)phenyl]-1-methyl-ethyl]phenoxy]propan-2-ol
CAS Name: 1-[2,6-dichloro-4-[2-[3,5-dichloro-4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]-2-propanol
IUPAC NAME: 1-[2,6-dichloro-4-[2-[3,5-dichloro-4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
SYSTEMATIC NAME: 1-[4-[2-[3,5-bis(chloranyl)-4-(2-oxidanylpropoxy)phenyl]propan-2-yl]-2,6-bis(chloranyl)phenoxy]propan-2-ol
MOLECULAR FORMULA: C21H24Cl4O4
MOLECULAR WEIGHT: 482.22486
SMILES: CC(COC1=C(C=C(C=C1Cl)C(C)(C)C2=CC(=C(C(=C2)Cl)OCC(C)O)Cl)Cl)O
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Product OPENEYE NAME: [chloro-(2,3-dichlorophenyl)methyl] prop-2-enoate
CAS Name: 2-propenoic acid [chloro-(2,3-dichlorophenyl)methyl] ester
IUPAC NAME: [chloro-(2,3-dichlorophenyl)methyl] prop-2-enoate
SYSTEMATIC NAME: [[2,3-bis(chloranyl)phenyl]-chloranyl-methyl] prop-2-enoate
MOLECULAR FORMULA: C10H7Cl3O2
MOLECULAR WEIGHT: 265.52038
SMILES: C=CC(=O)OC(C1=C(C(=CC=C1)Cl)Cl)Cl
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Product OPENEYE NAME: [chloro-(2,3,4-trichlorophenyl)methyl] prop-2-enoate
CAS Name: 2-propenoic acid [chloro-(2,3,4-trichlorophenyl)methyl] ester
IUPAC NAME: [chloro-(2,3,4-trichlorophenyl)methyl] prop-2-enoate
SYSTEMATIC NAME: [chloranyl-[2,3,4-tris(chloranyl)phenyl]methyl] prop-2-enoate
MOLECULAR FORMULA: C10H6Cl4O2
MOLECULAR WEIGHT: 299.96544
SMILES: C=CC(=O)OC(C1=C(C(=C(C=C1)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: [chloro-(2,3,4,5-tetrachlorophenyl)methyl] prop-2-enoate
CAS Name: 2-propenoic acid [chloro-(2,3,4,5-tetrachlorophenyl)methyl] ester
IUPAC NAME: [chloro-(2,3,4,5-tetrachlorophenyl)methyl] prop-2-enoate
SYSTEMATIC NAME: [chloranyl-[2,3,4,5-tetrakis(chloranyl)phenyl]methyl] prop-2-enoate
MOLECULAR FORMULA: C10H5Cl5O2
MOLECULAR WEIGHT: 334.4105
SMILES: C=CC(=O)OC(C1=CC(=C(C(=C1Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: (2-bromo-1-chloro-allyl)benzene
CAS Name: (2-bromo-1-chloroprop-2-enyl)benzene
IUPAC NAME: (2-bromo-1-chloroprop-2-enyl)benzene
SYSTEMATIC NAME: (2-bromanyl-1-chloranyl-prop-2-enyl)benzene
MOLECULAR FORMULA: C9H8BrCl
MOLECULAR WEIGHT: 231.51682
SMILES: C=C(C(C1=CC=CC=C1)Cl)Br
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Product OPENEYE NAME: (6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl) methyl carbonate
CAS Name: carbonic acid (6-methoxycarbonyloxy-1-cyclohexa-2,4-dienyl) methyl ester
IUPAC NAME: (6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl) methyl carbonate
SYSTEMATIC NAME: (6-methoxycarbonyloxycyclohexa-2,4-dien-1-yl) methyl carbonate
MOLECULAR FORMULA: C10H12O6
MOLECULAR WEIGHT: 228.19868
SMILES: COC(=O)OC1C=CC=CC1OC(=O)OC
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Product OPENEYE NAME: dihydroxy(oxo)phosphonium diacetate
CAS Name: dihydroxy(oxo)phosphonium diacetate
IUPAC NAME: dihydroxy(oxo)phosphanium diacetate
SYSTEMATIC NAME: bis(oxidanyl)-oxidanylidene-phosphanium diethanoate
MOLECULAR FORMULA: C4H8O7P-
MOLECULAR WEIGHT: 199.075881
SMILES: CC(=O)[O-].CC(=O)[O-].O[P+](=O)O
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