Product OPENEYE NAME: 5-propyl-1,3-benzodioxole
CAS Name: 5-propyl-1,3-benzodioxole
IUPAC NAME: 5-propyl-1,3-benzodioxole
SYSTEMATIC NAME: 5-propyl-1,3-benzodioxole
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCCC1=CC2=C(C=C1)OCO2
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Product OPENEYE NAME: dimethyl cyclohexane-1,4-dicarboxylate
CAS Name: cyclohexane-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl cyclohexane-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl cyclohexane-1,4-dicarboxylate
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: COC(=O)C1CCC(CC1)C(=O)OC
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Product OPENEYE NAME: 2-propylcyclohexanone
CAS Name: 2-propyl-1-cyclohexanone
IUPAC NAME: 2-propylcyclohexan-1-one
SYSTEMATIC NAME: 2-propylcyclohexan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CCCC1CCCCC1=O
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Product OPENEYE NAME: N-ethyl-2-methyl-aniline
CAS Name: N-ethyl-2-methylaniline
IUPAC NAME: N-ethyl-2-methylaniline
SYSTEMATIC NAME: N-ethyl-2-methyl-aniline
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CCNC1=CC=CC=C1C
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Product OPENEYE NAME: N-(o-tolyl)formamide
CAS Name: N-(2-methylphenyl)formamide
IUPAC NAME: N-(2-methylphenyl)formamide
SYSTEMATIC NAME: N-(2-methylphenyl)methanamide
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC1=CC=CC=C1NC=O
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Product OPENEYE NAME: 2-ethoxyaniline
CAS Name: 2-ethoxyaniline
IUPAC NAME: 2-ethoxyaniline
SYSTEMATIC NAME: 2-ethoxyaniline
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: CCOC1=CC=CC=C1N
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-phenoxy)acetic acid
CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid
IUPAC NAME: 2-(4-chloro-2-methylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)O
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Product OPENEYE NAME: 2-(4-chloro-2-methyl-phenyl)sulfanylacetic acid
CAS Name: 2-[(4-chloro-2-methylphenyl)thio]acetic acid
IUPAC NAME: 2-(4-chloro-2-methylphenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2-methyl-phenyl)sulfanylethanoic acid
MOLECULAR FORMULA: C9H9ClO2S
MOLECULAR WEIGHT: 216.68456
SMILES: CC1=C(C=CC(=C1)Cl)SCC(=O)O
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Product OPENEYE NAME: butyl 2-(2,4-dichlorophenoxy)acetate
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid butyl ester
IUPAC NAME: butyl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: butyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C12H14Cl2O3
MOLECULAR WEIGHT: 277.14376
SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
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Product OPENEYE NAME: 4-(4-chloro-2-methyl-phenoxy)butanoic acid
CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid
IUPAC NAME: 4-(4-chloro-2-methylphenoxy)butanoic acid
SYSTEMATIC NAME: 4-(4-chloranyl-2-methyl-phenoxy)butanoic acid
MOLECULAR FORMULA: C11H13ClO3
MOLECULAR WEIGHT: 228.67212
SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)O
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Product OPENEYE NAME: 2-(2,4-dichlorophenoxy)ethyl benzoate
CAS Name: benzoic acid 2-(2,4-dichlorophenoxy)ethyl ester
IUPAC NAME: 2-(2,4-dichlorophenoxy)ethyl benzoate
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]ethyl benzoate
MOLECULAR FORMULA: C15H12Cl2O3
MOLECULAR WEIGHT: 311.15998
SMILES: C1=CC=C(C=C1)C(=O)OCCOC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME: tris[2-(2,4-dichlorophenoxy)ethyl] phosphite
CAS Name: phosphorous acid tris[2-(2,4-dichlorophenoxy)ethyl] ester
IUPAC NAME: tris[2-(2,4-dichlorophenoxy)ethyl] phosphite
SYSTEMATIC NAME: tris[2-[2,4-bis(chloranyl)phenoxy]ethyl] phosphite
MOLECULAR FORMULA: C24H21Cl6O6P
MOLECULAR WEIGHT: 649.111701
SMILES: C1=CC(=C(C=C1Cl)Cl)OCCOP(OCCOC2=C(C=C(C=C2)Cl)Cl)OCCOC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-ethylhexane-1,3-diol
CAS Name: 2-ethylhexane-1,3-diol
IUPAC NAME: 2-ethylhexane-1,3-diol
SYSTEMATIC NAME: 2-ethylhexane-1,3-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CCCC(C(CC)CO)O
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Product OPENEYE NAME: 2,4-dichloro-1-(chloromethyl)benzene
CAS Name: 2,4-dichloro-1-(chloromethyl)benzene
IUPAC NAME: 2,4-dichloro-1-(chloromethyl)benzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-(chloromethyl)benzene
MOLECULAR FORMULA: C7H5Cl3
MOLECULAR WEIGHT: 195.4736
SMILES: C1=CC(=C(C=C1Cl)Cl)CCl
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Product OPENEYE NAME: 2,4-dihydroxybenzaldehyde
CAS Name: 2,4-dihydroxybenzaldehyde
IUPAC NAME: 2,4-dihydroxybenzaldehyde
SYSTEMATIC NAME: 2,4-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=CC(=C(C=C1O)O)C=O
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Product OPENEYE NAME: N-carbamoyl-2-ethyl-but-2-enamide
CAS Name: N-carbamoyl-2-ethyl-2-butenamide
IUPAC NAME: N-carbamoyl-2-ethylbut-2-enamide
SYSTEMATIC NAME: N-aminocarbonyl-2-ethyl-but-2-enamide
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CCC(=CC)C(=O)NC(=O)N
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Product OPENEYE NAME: diethylcarbamothioyl N,N-diethylcarbamodithioate
CAS Name: N,N-diethylcarbamodithioic acid [diethylamino(sulfanylidene)methyl] ester
IUPAC NAME: diethylcarbamothioyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: diethylcarbamothioyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C10H20N2S3
MOLECULAR WEIGHT: 264.4742
SMILES: CCN(CC)C(=S)SC(=S)N(CC)CC
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Product OPENEYE NAME: 2-chloroallyl N,N-diethylcarbamodithioate
CAS Name: N,N-diethylcarbamodithioic acid 2-chloroprop-2-enyl ester
IUPAC NAME: 2-chloroprop-2-enyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: 2-chloranylprop-2-enyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C8H14ClNS2
MOLECULAR WEIGHT: 223.78646
SMILES: CCN(CC)C(=S)SCC(=C)Cl
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Product OPENEYE NAME: 2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
CAS Name: 2-ethylbutanoic acid 2-[2-[2-(2-ethyl-1-oxobutoxy)ethoxy]ethoxy]ethyl ester
IUPAC NAME: 2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
SYSTEMATIC NAME: 2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
MOLECULAR FORMULA: C18H34O6
MOLECULAR WEIGHT: 346.45896
SMILES: CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC
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Product OPENEYE NAME: bicyclo[2.2.1]hept-2-ene-5-carbonitrile
CAS Name: 5-bicyclo[2.2.1]hept-2-enecarbonitrile
IUPAC NAME: bicyclo[2.2.1]hept-2-ene-5-carbonitrile
SYSTEMATIC NAME: bicyclo[2.2.1]hept-2-ene-5-carbonitrile
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: C1C2CC(C1C=C2)C#N
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Product OPENEYE NAME: 1H-indene
CAS Name: 1H-indene
IUPAC NAME: 1H-indene
SYSTEMATIC NAME: 1H-indene
MOLECULAR FORMULA: C9H8
MOLECULAR WEIGHT: 116.15982
SMILES: C1C=CC2=CC=CC=C21
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Product OPENEYE NAME: 2H-benzotriazole
CAS Name: 2H-benzotriazole
IUPAC NAME: 2H-benzotriazole
SYSTEMATIC NAME: 2H-benzotriazole
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: C1=CC2=NNN=C2C=C1
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Product OPENEYE NAME: benzothiophene
CAS Name: 1-benzothiophene
IUPAC NAME: 1-benzothiophene
SYSTEMATIC NAME: 1-benzothiophene
MOLECULAR FORMULA: C8H6S
MOLECULAR WEIGHT: 134.19824
SMILES: C1=CC=C2C(=C1)C=CS2
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Product OPENEYE NAME: 1,3-benzothiazole
CAS Name: 1,3-benzothiazole
IUPAC NAME: 1,3-benzothiazole
SYSTEMATIC NAME: 1,3-benzothiazole
MOLECULAR FORMULA: C7H5NS
MOLECULAR WEIGHT: 135.1863
SMILES: C1=CC=C2C(=C1)N=CS2
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