Product OPENEYE NAME: dinonyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid dinonyl ester
IUPAC NAME: dinonyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dinonyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
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Product OPENEYE NAME: didecyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid didecyl ester
IUPAC NAME: didecyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: didecyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C28H46O4
MOLECULAR WEIGHT: 446.66244
SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC
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Product OPENEYE NAME: 2-(1,3,3-trimethylindolin-2-ylidene)acetaldehyde
CAS Name: 2-(1,3,3-trimethyl-2-indolylidene)acetaldehyde
IUPAC NAME: 2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde
SYSTEMATIC NAME: 2-(1,3,3-trimethylindol-2-ylidene)ethanal
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC1(C2=CC=CC=C2N(C1=CC=O)C)C
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Product OPENEYE NAME: 4-aminonaphthalene-1-sulfonic acid
CAS Name: 4-amino-1-naphthalenesulfonic acid
IUPAC NAME: 4-aminonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-azanylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N
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Product OPENEYE NAME: 4-hydroxynaphthalene-1-sulfonic acid
CAS Name: 4-hydroxy-1-naphthalenesulfonic acid
IUPAC NAME: 4-hydroxynaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 4-oxidanylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H8O4S
MOLECULAR WEIGHT: 224.23312
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)O
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Product OPENEYE NAME: 8-hydroxyquinoline-5-sulfonic acid
CAS Name: 8-hydroxy-5-quinolinesulfonic acid
IUPAC NAME: 8-hydroxyquinoline-5-sulfonic acid
SYSTEMATIC NAME: 8-oxidanylquinoline-5-sulfonic acid
MOLECULAR FORMULA: C9H7NO4S
MOLECULAR WEIGHT: 225.22118
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O
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Product OPENEYE NAME: 5-aminonaphthalene-1-sulfonic acid
CAS Name: 5-amino-1-naphthalenesulfonic acid
IUPAC NAME: 5-aminonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 5-azanylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12Br2N2
MOLECULAR WEIGHT: 344.04508
SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12N2+2
MOLECULAR WEIGHT: 184.23708
SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
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Product OPENEYE NAME: benzo[f]quinoline
CAS Name: benzo[f]quinoline
IUPAC NAME: benzo[f]quinoline
SYSTEMATIC NAME: benzo[f]quinoline
MOLECULAR FORMULA: C13H9N
MOLECULAR WEIGHT: 179.21726
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC=N3
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Product OPENEYE NAME: 3-methylbenzo[f]quinoline
CAS Name: 3-methylbenzo[f]quinoline
IUPAC NAME: 3-methylbenzo[f]quinoline
SYSTEMATIC NAME: 3-methylbenzo[f]quinoline
MOLECULAR FORMULA: C14H11N
MOLECULAR WEIGHT: 193.24384
SMILES: CC1=NC2=C(C=C1)C3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid
CAS Name: 2,4,6-triiodo-3,5-bis(1-oxopropylamino)benzoic acid
IUPAC NAME: 2,4,6-triiodo-3,5-bis(propanoylamino)benzoic acid
SYSTEMATIC NAME: 2,4,6-tris(iodanyl)-3,5-bis(propanoylamino)benzoic acid
MOLECULAR FORMULA: C13H13I3N2O4
MOLECULAR WEIGHT: 641.96673
SMILES: CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CC)I
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Product OPENEYE NAME: (5-chloro-2-hydroxy-phenyl)-phenyl-methanone
CAS Name: (5-chloro-2-hydroxyphenyl)-phenylmethanone
IUPAC NAME: (5-chloro-2-hydroxyphenyl)-phenylmethanone
SYSTEMATIC NAME: (5-chloranyl-2-oxidanyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H9ClO2
MOLECULAR WEIGHT: 232.66236
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)O
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Product OPENEYE NAME: 1,2,3,4,5-pentabromo-6-ethyl-benzene
CAS Name: 1,2,3,4,5-pentabromo-6-ethylbenzene
IUPAC NAME: 1,2,3,4,5-pentabromo-6-ethylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromanyl)-6-ethyl-benzene
MOLECULAR FORMULA: C8H5Br5
MOLECULAR WEIGHT: 500.6453
SMILES: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
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Product OPENEYE NAME: (2-hydroxy-4-octoxy-phenyl)-(2-hydroxyphenyl)methanone
CAS Name: (2-hydroxy-4-octoxyphenyl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (2-hydroxy-4-octoxyphenyl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(4-octoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: CCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
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Product OPENEYE NAME: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
CAS Name: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one
IUPAC NAME: 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)N
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5O8P
MOLECULAR WEIGHT: 363.220621
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
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Product OPENEYE NAME: 2-(2,3,6-trichlorophenyl)acetic acid
CAS Name: 2-(2,3,6-trichlorophenyl)acetic acid
IUPAC NAME: 2-(2,3,6-trichlorophenyl)acetic acid
SYSTEMATIC NAME: 2-[2,3,6-tris(chloranyl)phenyl]ethanoic acid
MOLECULAR FORMULA: C8H5Cl3O2
MOLECULAR WEIGHT: 239.4831
SMILES: C1=CC(=C(C(=C1Cl)CC(=O)O)Cl)Cl
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Product OPENEYE NAME: 3-acetamido-2,4,6-triiodo-benzoic acid
CAS Name: 3-acetamido-2,4,6-triiodobenzoic acid
IUPAC NAME: 3-acetamido-2,4,6-triiodobenzoic acid
SYSTEMATIC NAME: 3-acetamido-2,4,6-tris(iodanyl)benzoic acid
MOLECULAR FORMULA: C9H6I3NO3
MOLECULAR WEIGHT: 556.86225
SMILES: CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I
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Product OPENEYE NAME: 2-hydroxy-3-nitro-benzoic acid
CAS Name: 2-hydroxy-3-nitrobenzoic acid
IUPAC NAME: 2-hydroxy-3-nitrobenzoic acid
SYSTEMATIC NAME: 3-nitro-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
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Product OPENEYE NAME: 3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS Name: 3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC NAME: 3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1C=CCC2C1C(=O)NC2=O
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Product OPENEYE NAME: isoindoline-1,3-dione
CAS Name: isoindole-1,3-dione
IUPAC NAME: isoindole-1,3-dione
SYSTEMATIC NAME: isoindole-1,3-dione
MOLECULAR FORMULA: C8H5NO2
MOLECULAR WEIGHT: 147.1308
SMILES: C1=CC=C2C(=C1)C(=O)NC2=O
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Product OPENEYE NAME: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
CAS Name: 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione
IUPAC NAME: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H8O3
MOLECULAR WEIGHT: 152.14732
SMILES: C1C=CCC2C1C(=O)OC2=O
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Product OPENEYE NAME: isobenzofuran-1,3-dione
CAS Name: isobenzofuran-1,3-dione
IUPAC NAME: 2-benzofuran-1,3-dione
SYSTEMATIC NAME: 2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H4O3
MOLECULAR WEIGHT: 148.11556
SMILES: C1=CC=C2C(=C1)C(=O)OC2=O
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