Product OPENEYE NAME: 5-methyl-N1-phenyl-benzene-1,2,4-triamine
CAS Name: 5-methyl-N1-phenylbenzene-1,2,4-triamine
IUPAC NAME: 5-methyl-1-N-phenylbenzene-1,2,4-triamine
SYSTEMATIC NAME: 5-methyl-N1-phenyl-benzene-1,2,4-triamine
MOLECULAR FORMULA: C13H15N3
MOLECULAR WEIGHT: 213.2783
SMILES: CC1=CC(=C(C=C1N)N)NC2=CC=CC=C2
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Product OPENEYE NAME: (E)-4-amino-4-oxo-but-2-enoic acid; ethoxyethane
CAS Name: (E)-4-amino-4-oxo-2-butenoic acid; ethoxyethane
IUPAC NAME: (E)-4-amino-4-oxobut-2-enoic acid; ethoxyethane
SYSTEMATIC NAME: (E)-4-azanyl-4-oxidanylidene-but-2-enoic acid; ethoxyethane
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CCOCC.C(=C/C(=O)O)\C(=O)N
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Product OPENEYE NAME: 4-[4-[1-[4-(4-aminophenoxy)phenyl]-3,3,3-trifluoro-1-methyl-propyl]phenoxy]aniline
CAS Name: 4-[4-[2-[4-(4-aminophenoxy)phenyl]-4,4,4-trifluorobutan-2-yl]phenoxy]aniline
IUPAC NAME: 4-[4-[2-[4-(4-aminophenoxy)phenyl]-4,4,4-trifluorobutan-2-yl]phenoxy]aniline
SYSTEMATIC NAME: 4-[4-[2-[4-(4-azanylphenoxy)phenyl]-4,4,4-tris(fluoranyl)butan-2-yl]phenoxy]aniline
MOLECULAR FORMULA: C28H25F3N2O2
MOLECULAR WEIGHT: 478.50551
SMILES: CC(CC(F)(F)F)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
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Product OPENEYE NAME: 4-[2-[1-[2-(4-aminophenoxy)-3-methyl-phenyl]-1-methyl-ethyl]-6-methyl-phenoxy]aniline
CAS Name: 4-[2-[2-[2-(4-aminophenoxy)-3-methylphenyl]propan-2-yl]-6-methylphenoxy]aniline
IUPAC NAME: 4-[2-[2-[2-(4-aminophenoxy)-3-methylphenyl]propan-2-yl]-6-methylphenoxy]aniline
SYSTEMATIC NAME: 4-[2-[2-[2-(4-azanylphenoxy)-3-methyl-phenyl]propan-2-yl]-6-methyl-phenoxy]aniline
MOLECULAR FORMULA: C29H30N2O2
MOLECULAR WEIGHT: 438.5607
SMILES: CC1=C(C(=CC=C1)C(C)(C)C2=CC=CC(=C2OC3=CC=C(C=C3)N)C)OC4=CC=C(C=C4)N
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Product OPENEYE NAME: 1,5-dioxo-2,3,4-benzotrioxepine-7,8-dicarboxylate
CAS Name: 1,5-dioxo-2,3,4-benzotrioxepin-7,8-dicarboxylate
IUPAC NAME: 1,5-dioxo-2,3,4-benzotrioxepine-7,8-dicarboxylate
SYSTEMATIC NAME: 1,5-bis(oxidanylidene)-2,3,4-benzotrioxepine-7,8-dicarboxylate
MOLECULAR FORMULA: C10H2O9-2
MOLECULAR WEIGHT: 266.11748
SMILES: C1=C2C(=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)OOOC2=O
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Product OPENEYE NAME: 1,5-dioxo-2,3,4-benzotrioxepine-7,8-dicarboxylic acid
CAS Name: 1,5-dioxo-2,3,4-benzotrioxepin-7,8-dicarboxylic acid
IUPAC NAME: 1,5-dioxo-2,3,4-benzotrioxepine-7,8-dicarboxylic acid
SYSTEMATIC NAME: 1,5-bis(oxidanylidene)-2,3,4-benzotrioxepine-7,8-dicarboxylic acid
MOLECULAR FORMULA: C10H4O9
MOLECULAR WEIGHT: 268.13336
SMILES: C1=C2C(=CC(=C1C(=O)O)C(=O)O)C(=O)OOOC2=O
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Product OPENEYE NAME: 1-hexylcyclohexa-1,3-diene
CAS Name: 1-hexylcyclohexa-1,3-diene
IUPAC NAME: 1-hexylcyclohexa-1,3-diene
SYSTEMATIC NAME: 1-hexylcyclohexa-1,3-diene
MOLECULAR FORMULA: C12H20
MOLECULAR WEIGHT: 164.2872
SMILES: CCCCCCC1=CC=CCC1
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Product OPENEYE NAME: 1-pentylcyclohexa-1,3-diene
CAS Name: 1-pentylcyclohexa-1,3-diene
IUPAC NAME: 1-pentylcyclohexa-1,3-diene
SYSTEMATIC NAME: 1-pentylcyclohexa-1,3-diene
MOLECULAR FORMULA: C11H18
MOLECULAR WEIGHT: 150.26062
SMILES: CCCCCC1=CC=CCC1
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Product OPENEYE NAME: N-[3-[2-(2-hydroxyethoxy)ethoxy]-1-methyl-propyl]carbamate
CAS Name: N-[4-[2-(2-hydroxyethoxy)ethoxy]butan-2-yl]carbamate
IUPAC NAME: N-[4-[2-(2-hydroxyethoxy)ethoxy]butan-2-yl]carbamate
SYSTEMATIC NAME: N-[4-[2-(2-hydroxyethyloxy)ethoxy]butan-2-yl]carbamate
MOLECULAR FORMULA: C9H18NO5-
MOLECULAR WEIGHT: 220.24292
SMILES: CC(CCOCCOCCO)NC(=O)[O-]
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Product OPENEYE NAME: [3-[2-(2-hydroxyethoxy)ethoxy]-1-methyl-propyl]carbamic acid
CAS Name: 4-[2-(2-hydroxyethoxy)ethoxy]butan-2-ylcarbamic acid
IUPAC NAME: 4-[2-(2-hydroxyethoxy)ethoxy]butan-2-ylcarbamic acid
SYSTEMATIC NAME: 4-[2-(2-hydroxyethyloxy)ethoxy]butan-2-ylcarbamic acid
MOLECULAR FORMULA: C9H19NO5
MOLECULAR WEIGHT: 221.25086
SMILES: CC(CCOCCOCCO)NC(=O)O
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Product OPENEYE NAME: 15-cyclohexyl-16-azaspiro[5.11]heptadec-16-ene
CAS Name: 15-cyclohexyl-16-azaspiro[5.11]heptadec-16-ene
IUPAC NAME: 15-cyclohexyl-16-azaspiro[5.11]heptadec-16-ene
SYSTEMATIC NAME: 15-cyclohexyl-16-azaspiro[5.11]heptadec-16-ene
MOLECULAR FORMULA: C22H39N
MOLECULAR WEIGHT: 317.55176
SMILES: C1CCCCC2(CCCCC2)C=NC(CCC1)C3CCCCC3
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Product OPENEYE NAME: 2-hexadecyl-2-[(E)-octadec-9-enyl]oxirane
CAS Name: 2-hexadecyl-2-[(E)-octadec-9-enyl]oxirane
IUPAC NAME: 2-hexadecyl-2-[(E)-octadec-9-enyl]oxirane
SYSTEMATIC NAME: 2-hexadecyl-2-[(E)-octadec-9-enyl]oxirane
MOLECULAR FORMULA: C36H70O
MOLECULAR WEIGHT: 518.9404
SMILES: CCCCCCCCCCCCCCCCC1(CO1)CCCCCCCC/C=C/CCCCCCCC
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Product OPENEYE NAME: N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)carbamoyl chloride
CAS Name: N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)carbamoyl chloride
IUPAC NAME: N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)carbamoyl chloride
SYSTEMATIC NAME: N-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octyl]carbamoyl chloride
MOLECULAR FORMULA: C9H3ClF15NO
MOLECULAR WEIGHT: 461.555268
SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)Cl
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Product OPENEYE NAME: ethyl 2,2,6-trimethyl-4-oxo-cyclohexanecarboxylate
CAS Name: 2,2,6-trimethyl-4-oxo-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2,2,6-trimethyl-4-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2,2,6-trimethyl-4-oxidanylidene-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H20O3
MOLECULAR WEIGHT: 212.2854
SMILES: CCOC(=O)C1C(CC(=O)CC1(C)C)C
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Product OPENEYE NAME: ethyl 4-hydroxy-2,2,6-trimethyl-cyclohexanecarboxylate
CAS Name: 4-hydroxy-2,2,6-trimethyl-1-cyclohexanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-hydroxy-2,2,6-trimethylcyclohexane-1-carboxylate
SYSTEMATIC NAME: ethyl 2,2,6-trimethyl-4-oxidanyl-cyclohexane-1-carboxylate
MOLECULAR FORMULA: C12H22O3
MOLECULAR WEIGHT: 214.30128
SMILES: CCOC(=O)C1C(CC(CC1(C)C)O)C
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Product OPENEYE NAME: 4-(2,6,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
CAS Name: 4-(2,6,6-trimethyl-1-cyclohex-3-enyl)-4-hepta-1,6-dienol
IUPAC NAME: 4-(2,6,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SYSTEMATIC NAME: 4-(2,6,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CC1C=CCC(C1C(CC=C)(CC=C)O)(C)C
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Product OPENEYE NAME: 4-(2,2,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
CAS Name: 4-(2,2,6-trimethyl-1-cyclohex-3-enyl)-4-hepta-1,6-dienol
IUPAC NAME: 4-(2,2,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
SYSTEMATIC NAME: 4-(2,2,6-trimethylcyclohex-3-en-1-yl)hepta-1,6-dien-4-ol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CC1CC=CC(C1C(CC=C)(CC=C)O)(C)C
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Product OPENEYE NAME: 5,5-dichloro-3,3-dimethyl-pent-4-en-2-one
CAS Name: 5,5-dichloro-3,3-dimethyl-4-penten-2-one
IUPAC NAME: 5,5-dichloro-3,3-dimethylpent-4-en-2-one
SYSTEMATIC NAME: 5,5-bis(chloranyl)-3,3-dimethyl-pent-4-en-2-one
MOLECULAR FORMULA: C7H10Cl2O
MOLECULAR WEIGHT: 181.0597
SMILES: CC(=O)C(C)(C)C=C(Cl)Cl
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Product OPENEYE NAME: 2,4-dichloro-1-(3,3-dichloroallyl)benzene
CAS Name: 2,4-dichloro-1-(3,3-dichloroprop-2-enyl)benzene
IUPAC NAME: 2,4-dichloro-1-(3,3-dichloroprop-2-enyl)benzene
SYSTEMATIC NAME: 1-[3,3-bis(chloranyl)prop-2-enyl]-2,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C9H6Cl4
MOLECULAR WEIGHT: 255.95594
SMILES: C1=CC(=C(C=C1Cl)Cl)CC=C(Cl)Cl
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Product OPENEYE NAME: 1-[(1E)-1-(chloromethylene)-2,2-dimethyl-propoxy]-3-methyl-benzene
CAS Name: 1-[(E)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxy-3-methylbenzene
IUPAC NAME: 1-[(E)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxy-3-methylbenzene
SYSTEMATIC NAME: 1-[(E)-1-chloranyl-3,3-dimethyl-but-1-en-2-yl]oxy-3-methyl-benzene
MOLECULAR FORMULA: C13H17ClO
MOLECULAR WEIGHT: 224.72648
SMILES: CC1=CC(=CC=C1)O/C(=C/Cl)/C(C)(C)C
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Product OPENEYE NAME: [(1Z)-1-(chloromethylene)-2,2-dimethyl-propoxy]benzene
CAS Name: [(Z)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxybenzene
IUPAC NAME: [(Z)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxybenzene
SYSTEMATIC NAME: [(Z)-1-chloranyl-3,3-dimethyl-but-1-en-2-yl]oxybenzene
MOLECULAR FORMULA: C12H15ClO
MOLECULAR WEIGHT: 210.6999
SMILES: CC(C)(C)/C(=C/Cl)/OC1=CC=CC=C1
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Product OPENEYE NAME: [(1Z)-1-(chloromethylene)-2-methyl-propoxy]benzene
CAS Name: [(Z)-1-chloro-3-methylbut-1-en-2-yl]oxybenzene
IUPAC NAME: [(Z)-1-chloro-3-methylbut-1-en-2-yl]oxybenzene
SYSTEMATIC NAME: [(Z)-1-chloranyl-3-methyl-but-1-en-2-yl]oxybenzene
MOLECULAR FORMULA: C11H13ClO
MOLECULAR WEIGHT: 196.67332
SMILES: CC(C)/C(=C/Cl)/OC1=CC=CC=C1
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Product OPENEYE NAME: 1-(2,2-dichlorovinyl)-1-methyl-cyclohexane
CAS Name: 1-(2,2-dichloroethenyl)-1-methylcyclohexane
IUPAC NAME: 1-(2,2-dichloroethenyl)-1-methylcyclohexane
SYSTEMATIC NAME: 1-[2,2-bis(chloranyl)ethenyl]-1-methyl-cyclohexane
MOLECULAR FORMULA: C9H14Cl2
MOLECULAR WEIGHT: 193.11346
SMILES: CC1(CCCCC1)C=C(Cl)Cl
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