Product OPENEYE NAME: 5,7-dinitro-1,2,3-benzoxadiazole
CAS Name: 5,7-dinitro-1,2,3-benzoxadiazole
IUPAC NAME: 5,7-dinitro-1,2,3-benzoxadiazole
SYSTEMATIC NAME: 5,7-dinitro-1,2,3-benzoxadiazole
MOLECULAR FORMULA: C6H2N4O5
MOLECULAR WEIGHT: 210.10388
SMILES: C1=C(C=C2C(=C1[N+](=O)[O-])ON=N2)[N+](=O)[O-]
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Product OPENEYE NAME: [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
CAS Name: nitric acid [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester
IUPAC NAME: [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
SYSTEMATIC NAME: [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate
MOLECULAR FORMULA: C6H8N2O8
MOLECULAR WEIGHT: 236.13632
SMILES: C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-]
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Product OPENEYE NAME: 1,3,5-trichloro-2-methoxy-benzene
CAS Name: 1,3,5-trichloro-2-methoxybenzene
IUPAC NAME: 1,3,5-trichloro-2-methoxybenzene
SYSTEMATIC NAME: 1,3,5-tris(chloranyl)-2-methoxy-benzene
MOLECULAR FORMULA: C7H5Cl3O
MOLECULAR WEIGHT: 211.473
SMILES: COC1=C(C=C(C=C1Cl)Cl)Cl
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Product OPENEYE NAME: 3H-isobenzofuran-1-one
CAS Name: 3H-isobenzofuran-1-one
IUPAC NAME: 3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H6O2
MOLECULAR WEIGHT: 134.13204
SMILES: C1C2=CC=CC=C2C(=O)O1
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Product OPENEYE NAME: (1R,9S)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
CAS Name: (1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
IUPAC NAME: (1R,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
SYSTEMATIC NAME: (1R,9S)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CCCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
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Product OPENEYE NAME: (5-methyl-2-phenyl-pyrazol-3-yl) N,N-dimethylcarbamate
CAS Name: N,N-dimethylcarbamic acid (5-methyl-2-phenyl-3-pyrazolyl) ester
IUPAC NAME: (5-methyl-2-phenylpyrazol-3-yl) N,N-dimethylcarbamate
SYSTEMATIC NAME: (5-methyl-2-phenyl-pyrazol-3-yl) N,N-dimethylcarbamate
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC1=NN(C(=C1)OC(=O)N(C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 5-bromoindoline-2,3-dione
CAS Name: 5-bromo-1H-indole-2,3-dione
IUPAC NAME: 5-bromo-1H-indole-2,3-dione
SYSTEMATIC NAME: 5-bromanyl-1H-indole-2,3-dione
MOLECULAR FORMULA: C8H4BrNO2
MOLECULAR WEIGHT: 226.02686
SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2
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Product OPENEYE NAME: 1-(1H-indol-3-yl)-N,N-dimethyl-methanamine
CAS Name: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
IUPAC NAME: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CN(C)CC1=CNC2=CC=CC=C21
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Product OPENEYE NAME: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H11NO3S
MOLECULAR WEIGHT: 201.24284
SMILES: CC1([C@@H](N2[C@H](S1)CC2=O)C(=O)O)C
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Product OPENEYE NAME: 2,3-dimethylaniline
CAS Name: 2,3-dimethylaniline
IUPAC NAME: 2,3-dimethylaniline
SYSTEMATIC NAME: 2,3-dimethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=C(C(=CC=C1)N)C
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Product OPENEYE NAME: 3-chloro-2-methyl-aniline
CAS Name: 3-chloro-2-methylaniline
IUPAC NAME: 3-chloro-2-methylaniline
SYSTEMATIC NAME: 3-chloranyl-2-methyl-aniline
MOLECULAR FORMULA: C7H8ClN
MOLECULAR WEIGHT: 141.59812
SMILES: CC1=C(C=CC=C1Cl)N
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Product OPENEYE NAME: 1,2,3-trichlorobenzene
CAS Name: 1,2,3-trichlorobenzene
IUPAC NAME: 1,2,3-trichlorobenzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)benzene
MOLECULAR FORMULA: C6H3Cl3
MOLECULAR WEIGHT: 181.44702
SMILES: C1=CC(=C(C(=C1)Cl)Cl)Cl
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Product OPENEYE NAME: 2,6-dimethylaniline
CAS Name: 2,6-dimethylaniline
IUPAC NAME: 2,6-dimethylaniline
SYSTEMATIC NAME: 2,6-dimethylaniline
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=C(C(=CC=C1)C)N
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Product OPENEYE NAME: 2-chloro-6-methyl-aniline
CAS Name: 2-chloro-6-methylaniline
IUPAC NAME: 2-chloro-6-methylaniline
SYSTEMATIC NAME: 2-chloranyl-6-methyl-aniline
MOLECULAR FORMULA: C7H8ClN
MOLECULAR WEIGHT: 141.59812
SMILES: CC1=C(C(=CC=C1)Cl)N
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Product OPENEYE NAME: 2-chloro-6-methyl-phenol
CAS Name: 2-chloro-6-methylphenol
IUPAC NAME: 2-chloro-6-methylphenol
SYSTEMATIC NAME: 2-chloranyl-6-methyl-phenol
MOLECULAR FORMULA: C7H7ClO
MOLECULAR WEIGHT: 142.58288
SMILES: CC1=C(C(=CC=C1)Cl)O
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Product OPENEYE NAME: 2,6-dichlorophenol
CAS Name: 2,6-dichlorophenol
IUPAC NAME: 2,6-dichlorophenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C6H4Cl2O
MOLECULAR WEIGHT: 163.00136
SMILES: C1=CC(=C(C(=C1)Cl)O)Cl
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Product OPENEYE NAME: 2-hydroxyethyl(trimethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxo-butanoate
CAS Name: 2-hydroxyethyl(trimethyl)ammonium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
IUPAC NAME: 2-hydroxyethyl(trimethyl)azanium; (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SYSTEMATIC NAME: 2-hydroxyethyl(trimethyl)azanium; (2R,3R)-2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C9H19NO7
MOLECULAR WEIGHT: 253.24966
SMILES: C[N+](C)(C)CCO.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O
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Product OPENEYE NAME: 1,1,2,3,4,4-hexachlorobuta-1,3-diene
CAS Name: 1,1,2,3,4,4-hexachlorobuta-1,3-diene
IUPAC NAME: 1,1,2,3,4,4-hexachlorobuta-1,3-diene
SYSTEMATIC NAME: 1,1,2,3,4,4-hexakis(chloranyl)buta-1,3-diene
MOLECULAR FORMULA: C4Cl6
MOLECULAR WEIGHT: 260.7608
SMILES: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl
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Product OPENEYE NAME: (3S,4R,5R)-tetrahydropyran-2,3,4,5-tetrol
CAS Name: (3S,4R,5R)-oxane-2,3,4,5-tetrol
IUPAC NAME: (3S,4R,5R)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3S,4R,5R)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@H]([C@H]([C@@H](C(O1)O)O)O)O
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Product OPENEYE NAME: hexadecyl(trimethyl)ammonium; 2,3,4,5,6-pentachlorophenolate
CAS Name: hexadecyl(trimethyl)ammonium; 2,3,4,5,6-pentachlorophenolate
IUPAC NAME: hexadecyl(trimethyl)azanium; 2,3,4,5,6-pentachlorophenolate
SYSTEMATIC NAME: hexadecyl(trimethyl)azanium; 2,3,4,5,6-pentakis(chloranyl)phenolate
MOLECULAR FORMULA: C25H42Cl5NO
MOLECULAR WEIGHT: 549.87208
SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]
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Product OPENEYE NAME: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
CAS Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxy-2-hexanone
IUPAC NAME: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
SYSTEMATIC NAME: (3S,4R,5S)-1,3,4,5,6-pentakis(oxidanyl)hexan-2-one
MOLECULAR FORMULA: C6H12O6
MOLECULAR WEIGHT: 180.15588
SMILES: C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
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Product OPENEYE NAME: 1,2,3,4,5,6-hexabromobenzene
CAS Name: 1,2,3,4,5,6-hexabromobenzene
IUPAC NAME: 1,2,3,4,5,6-hexabromobenzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis(bromanyl)benzene
MOLECULAR FORMULA: C6Br6
MOLECULAR WEIGHT: 551.4882
SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
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Product OPENEYE NAME: 1,2,3,4,5-pentabromo-6-methyl-benzene
CAS Name: 1,2,3,4,5-pentabromo-6-methylbenzene
IUPAC NAME: 1,2,3,4,5-pentabromo-6-methylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)-6-methyl-benzene
MOLECULAR FORMULA: C7H3Br5
MOLECULAR WEIGHT: 486.61872
SMILES: CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
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Product OPENEYE NAME: 1,2,3,4,5-pentabromo-6-chloro-cyclohexane
CAS Name: 1,2,3,4,5-pentabromo-6-chlorocyclohexane
IUPAC NAME: 1,2,3,4,5-pentabromo-6-chlorocyclohexane
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)-6-chloranyl-cyclohexane
MOLECULAR FORMULA: C6H6Br5Cl
MOLECULAR WEIGHT: 513.08484
SMILES: C1(C(C(C(C(C1Br)Br)Br)Br)Br)Cl
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