Product OPENEYE NAME: o-tolylazanide
CAS Name: (2-methylphenyl)azanide
IUPAC NAME: (2-methylphenyl)azanide
SYSTEMATIC NAME: (2-methylphenyl)azanide
MOLECULAR FORMULA: C7H8N-
MOLECULAR WEIGHT: 106.14512
SMILES: CC1=CC=CC=C1[NH-]
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Product OPENEYE NAME: 2-(4-hexadecoxyphenyl)-1H-indol-3-amine
CAS Name: 2-(4-hexadecoxyphenyl)-1H-indol-3-amine
IUPAC NAME: 2-(4-hexadecoxyphenyl)-1H-indol-3-amine
SYSTEMATIC NAME: 2-(4-hexadecoxyphenyl)-1H-indol-3-amine
MOLECULAR FORMULA: C30H44N2O
MOLECULAR WEIGHT: 448.68316
SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)N
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Product OPENEYE NAME: 1H-pyrazolo[1,5-a]benzimidazole-2-carbonitrile
CAS Name: 1H-pyrazolo[1,5-a]benzimidazole-2-carbonitrile
IUPAC NAME: 1H-pyrazolo[1,5-a]benzimidazole-2-carbonitrile
SYSTEMATIC NAME: 1H-pyrazolo[1,5-a]benzimidazole-2-carbonitrile
MOLECULAR FORMULA: C10H6N4
MOLECULAR WEIGHT: 182.18144
SMILES: C1=CC=C2C(=C1)N=C3N2NC(=C3)C#N
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Product OPENEYE NAME: 5-chloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CAS Name: 5-chloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
IUPAC NAME: 5-chloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
SYSTEMATIC NAME: 5-chloranyl-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
MOLECULAR FORMULA: C11H8ClN3O
MOLECULAR WEIGHT: 233.65372
SMILES: CC1=CC2=NC3=C(C=CC=C3Cl)C(=O)N2N1
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Product OPENEYE NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole
CAS Name: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole
IUPAC NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole
SYSTEMATIC NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: COC1=CC2=NC3=CC=CC=C3N2N1
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Product OPENEYE NAME: 4-amino-5-hydroxy-2-methoxy-benzenesulfonic acid
CAS Name: 4-amino-5-hydroxy-2-methoxybenzenesulfonic acid
IUPAC NAME: 4-amino-5-hydroxy-2-methoxybenzenesulfonic acid
SYSTEMATIC NAME: 4-azanyl-2-methoxy-5-oxidanyl-benzenesulfonic acid
MOLECULAR FORMULA: C7H9NO5S
MOLECULAR WEIGHT: 219.21506
SMILES: COC1=C(C=C(C(=C1)N)O)S(=O)(=O)O
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Product OPENEYE NAME: 2-amino-4,6-bis(trifluoromethyl)phenol
CAS Name: 2-amino-4,6-bis(trifluoromethyl)phenol
IUPAC NAME: 2-amino-4,6-bis(trifluoromethyl)phenol
SYSTEMATIC NAME: 2-azanyl-4,6-bis(trifluoromethyl)phenol
MOLECULAR FORMULA: C8H5F6NO
MOLECULAR WEIGHT: 245.121819
SMILES: C1=C(C=C(C(=C1C(F)(F)F)O)N)C(F)(F)F
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Product OPENEYE NAME: 2-aminophenol; 1,4-benzoquinone
CAS Name: 2-aminophenol; cyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2-aminophenol; cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-azanylphenol; cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: C1=CC=C(C(=C1)N)O.C1=CC(=O)C=CC1=O
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Product OPENEYE NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
CAS Name: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
IUPAC NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
SYSTEMATIC NAME: 2-methoxy-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonic acid
MOLECULAR FORMULA: C10H9N3O4S
MOLECULAR WEIGHT: 267.26116
SMILES: COC1=CC2=NC3=C(N2N1)C=CC(=C3)S(=O)(=O)O
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Product OPENEYE NAME: 5-chloro-6-chlorosulfonyloxy-2-methyl-1,3-benzoxazole
CAS Name: 5-chloro-6-chlorosulfonyloxy-2-methyl-1,3-benzoxazole
IUPAC NAME: 5-chloro-6-chlorosulfonyloxy-2-methyl-1,3-benzoxazole
SYSTEMATIC NAME: 5-chloranyl-6-chloranylsulfonyloxy-2-methyl-1,3-benzoxazole
MOLECULAR FORMULA: C8H5Cl2NO4S
MOLECULAR WEIGHT: 282.1006
SMILES: CC1=NC2=CC(=C(C=C2O1)OS(=O)(=O)Cl)Cl
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Product OPENEYE NAME: N-[3-[1-(4,5-dimethyl-3,6-dioxo-2-propyl-cyclohexa-1,4-dien-1-yl)tetradecylsulfonyl]-4-methoxy-phenyl]benzenesulfonamide
CAS Name: N-[3-[1-(4,5-dimethyl-3,6-dioxo-2-propyl-1-cyclohexa-1,4-dienyl)tetradecylsulfonyl]-4-methoxyphenyl]benzenesulfonamide
IUPAC NAME: N-[3-[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecylsulfonyl]-4-methoxyphenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[3-[1-[4,5-dimethyl-3,6-bis(oxidanylidene)-2-propyl-cyclohexa-1,4-dien-1-yl]tetradecylsulfonyl]-4-methoxy-phenyl]benzenesulfonamide
MOLECULAR FORMULA: C38H53NO7S2
MOLECULAR WEIGHT: 699.95992
SMILES: CCCCCCCCCCCCCC(C1=C(C(=O)C(=C(C1=O)C)C)CCC)S(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)OC
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Product OPENEYE NAME: 2-methoxy-6-(trifluoromethyl)-1H-pyrazolo[1,5-a]benzimidazole
CAS Name: 2-methoxy-6-(trifluoromethyl)-1H-pyrazolo[1,5-a]benzimidazole
IUPAC NAME: 2-methoxy-6-(trifluoromethyl)-1H-pyrazolo[1,5-a]benzimidazole
SYSTEMATIC NAME: 2-methoxy-6-(trifluoromethyl)-1H-pyrazolo[1,5-a]benzimidazole
MOLECULAR FORMULA: C11H8F3N3O
MOLECULAR WEIGHT: 255.19593
SMILES: COC1=CC2=NC3=C(N2N1)C=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: 2-methyl-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonamide
CAS Name: 2-methyl-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonamide
IUPAC NAME: 2-methyl-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonamide
SYSTEMATIC NAME: 2-methyl-1H-pyrazolo[1,5-a]benzimidazole-6-sulfonamide
MOLECULAR FORMULA: C10H10N4O2S
MOLECULAR WEIGHT: 250.277
SMILES: CC1=CC2=NC3=C(N2N1)C=CC(=C3)S(=O)(=O)N
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Product OPENEYE NAME: 2-[1-(5-amino-2-methoxy-phenyl)sulfonyltetradecyl]-5,6-dimethyl-3-propyl-1,4-benzoquinone
CAS Name: 2-[1-(5-amino-2-methoxyphenyl)sulfonyltetradecyl]-5,6-dimethyl-3-propylcyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2-[1-(5-amino-2-methoxyphenyl)sulfonyltetradecyl]-5,6-dimethyl-3-propylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[1-(5-azanyl-2-methoxy-phenyl)sulfonyltetradecyl]-5,6-dimethyl-3-propyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C32H49NO5S
MOLECULAR WEIGHT: 559.80016
SMILES: CCCCCCCCCCCCCC(C1=C(C(=O)C(=C(C1=O)C)C)CCC)S(=O)(=O)C2=C(C=CC(=C2)N)OC
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Product OPENEYE NAME: 6-amino-6-hydroxy-5H-naphthalene-2-sulfonic acid
CAS Name: 6-amino-6-hydroxy-5H-naphthalene-2-sulfonic acid
IUPAC NAME: 6-amino-6-hydroxy-5H-naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanyl-6-oxidanyl-5H-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H11NO4S
MOLECULAR WEIGHT: 241.26364
SMILES: C1C2=C(C=CC1(N)O)C=C(C=C2)S(=O)(=O)O
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Product OPENEYE NAME: (E)-5-(o-tolyl)pent-3-en-1-ol
CAS Name: (E)-5-(2-methylphenyl)-3-penten-1-ol
IUPAC NAME: (E)-5-(2-methylphenyl)pent-3-en-1-ol
SYSTEMATIC NAME: (E)-5-(2-methylphenyl)pent-3-en-1-ol
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=CC=CC=C1C/C=C/CCO
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Product OPENEYE NAME: 2-methyl-2-[(4-nitrophenyl)methoxy]butanoic acid
CAS Name: 2-methyl-2-[(4-nitrophenyl)methoxy]butanoic acid
IUPAC NAME: 2-methyl-2-[(4-nitrophenyl)methoxy]butanoic acid
SYSTEMATIC NAME: 2-methyl-2-[(4-nitrophenyl)methoxy]butanoic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: CCC(C)(C(=O)O)OCC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[(4-bromophenyl)methoxy]-2-methyl-butanoic acid
CAS Name: 2-[(4-bromophenyl)methoxy]-2-methylbutanoic acid
IUPAC NAME: 2-[(4-bromophenyl)methoxy]-2-methylbutanoic acid
SYSTEMATIC NAME: 2-[(4-bromophenyl)methoxy]-2-methyl-butanoic acid
MOLECULAR FORMULA: C12H15BrO3
MOLECULAR WEIGHT: 287.1497
SMILES: CCC(C)(C(=O)O)OCC1=CC=C(C=C1)Br
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Product OPENEYE NAME: 4-benzyloxy-2-methyl-butanoic acid
CAS Name: 2-methyl-4-phenylmethoxybutanoic acid
IUPAC NAME: 2-methyl-4-phenylmethoxybutanoic acid
SYSTEMATIC NAME: 2-methyl-4-phenylmethoxy-butanoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(CCOCC1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: 2-[(4-chlorophenyl)methoxy]-2-methyl-butanoic acid
CAS Name: 2-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
IUPAC NAME: 2-[(4-chlorophenyl)methoxy]-2-methylbutanoic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methoxy]-2-methyl-butanoic acid
MOLECULAR FORMULA: C12H15ClO3
MOLECULAR WEIGHT: 242.6987
SMILES: CCC(C)(C(=O)O)OCC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 4-[(2-chlorophenyl)methoxy]-2-methyl-butanoic acid
CAS Name: 4-[(2-chlorophenyl)methoxy]-2-methylbutanoic acid
IUPAC NAME: 4-[(2-chlorophenyl)methoxy]-2-methylbutanoic acid
SYSTEMATIC NAME: 4-[(2-chlorophenyl)methoxy]-2-methyl-butanoic acid
MOLECULAR FORMULA: C12H15ClO3
MOLECULAR WEIGHT: 242.6987
SMILES: CC(CCOCC1=CC=CC=C1Cl)C(=O)O
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Product OPENEYE NAME: 2-methyl-4-phenacyloxy-butanoic acid
CAS Name: 2-methyl-4-phenacyloxybutanoic acid
IUPAC NAME: 2-methyl-4-phenacyloxybutanoic acid
SYSTEMATIC NAME: 2-methyl-4-phenacyloxy-butanoic acid
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC(CCOCC(=O)C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: cyclohexen-1-yl acetate; lead
CAS Name: acetic acid 1-cyclohexenyl ester; lead
IUPAC NAME: cyclohexen-1-yl acetate; lead
SYSTEMATIC NAME: cyclohexen-1-yl ethanoate; lead
MOLECULAR FORMULA: C8H12O2Pb
MOLECULAR WEIGHT: 347.37968
SMILES: CC(=O)OC1=CCCCC1.[Pb]
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Product OPENEYE NAME: N2,N2-diallyl-N4-[6-[[4-(diallylamino)-6-hexyl-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-4-piperidyl)amino]hexyl]-6-hexyl-N4-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CAS Name: N4-[6-[[4-[bis(prop-2-enyl)amino]-6-hexyl-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-4-piperidinyl)amino]hexyl]-6-hexyl-N2,N2-bis(prop-2-enyl)-N4-(2,2,6,6-tetramethyl-4-piperidinyl)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 4-N-[6-[[4-[bis(prop-2-enyl)amino]-6-hexyl-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-hexyl-2-N,2-N-bis(prop-2-enyl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-[6-[[4-[bis(prop-2-enyl)amino]-6-hexyl-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-hexyl-N2,N2-bis(prop-2-enyl)-N4-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C54H94N12
MOLECULAR WEIGHT: 911.40456
SMILES: CCCCCCC1=NC(=NC(=N1)N(CC=C)CC=C)N(CCCCCCN(C2CC(NC(C2)(C)C)(C)C)C3=NC(=NC(=N3)CCCCCC)N(CC=C)CC=C)C4CC(NC(C4)(C)C)(C)C
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