Product OPENEYE NAME: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphate
CAS Name: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl phosphate
IUPAC NAME: disodium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
SYSTEMATIC NAME: disodium [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
MOLECULAR FORMULA: C10H11N4Na2O8P
MOLECULAR WEIGHT: 392.169641
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-yl)-3-oxo-butanamide
CAS Name: N-(1,3-benzothiazol-2-yl)-3-oxobutanamide
IUPAC NAME: N-(1,3-benzothiazol-2-yl)-3-oxobutanamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C11H10N2O2S
MOLECULAR WEIGHT: 234.2743
SMILES: CC(=O)CC(=O)NC1=NC2=CC=CC=C2S1
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Product OPENEYE NAME: 6-nitro-1H-3,1-benzoxazine-2,4-dione
CAS Name: 6-nitro-1H-3,1-benzoxazine-2,4-dione
IUPAC NAME: 6-nitro-1H-3,1-benzoxazine-2,4-dione
SYSTEMATIC NAME: 6-nitro-1H-3,1-benzoxazine-2,4-dione
MOLECULAR FORMULA: C8H4N2O5
MOLECULAR WEIGHT: 208.12776
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)OC(=O)N2
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Product OPENEYE NAME: barium(2+); octanoate
CAS Name: barium(2+); octanoate
IUPAC NAME: barium(2+); octanoate
SYSTEMATIC NAME: barium(2+); octanoate
MOLECULAR FORMULA: C16H30BaO4
MOLECULAR WEIGHT: 423.734
SMILES: CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ba+2]
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Product OPENEYE NAME: disodium 6-[[2-carboxylato-2-(3-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: disodium 6-[[2-carboxylato-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: disodium 6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: disodium 3,3-dimethyl-6-[(3-oxidanidyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl)amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C15H14N2Na2O6S2
MOLECULAR WEIGHT: 428.391
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
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Product OPENEYE NAME: (2S,5R,6R)-6-[(2-carboxy-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-6-[(2-carboxy-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-6-[(2-carboxy-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[(3-oxidanyl-3-oxidanylidene-2-phenyl-propanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H18N2O6S
MOLECULAR WEIGHT: 378.39962
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C
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Product OPENEYE NAME: 2-(1,3-dioxoisoindolin-2-yl)acetic acid
CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid
IUPAC NAME: 2-(1,3-dioxoisoindol-2-yl)acetic acid
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)O
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Product OPENEYE NAME: 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione
CAS Name: 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione
IUPAC NAME: 4,8-diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthracene-9,10-dione
SYSTEMATIC NAME: 4,8-bis(azanyl)-2-(4-methoxyphenyl)-1,5-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C21H16N2O5
MOLECULAR WEIGHT: 376.36214
SMILES: COC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N
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Product OPENEYE NAME: 3-bromopropane-1,2-diol
CAS Name: 3-bromopropane-1,2-diol
IUPAC NAME: 3-bromopropane-1,2-diol
SYSTEMATIC NAME: 3-bromanylpropane-1,2-diol
MOLECULAR FORMULA: C3H7BrO2
MOLECULAR WEIGHT: 154.99048
SMILES: C(C(CBr)O)O
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Product OPENEYE NAME: 1-methoxy-4-[2-(4-methoxyphenyl)vinyl]benzene
CAS Name: 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene
IUPAC NAME: 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]benzene
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC
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Product OPENEYE NAME: isobutyl 4-amino-2-(1-methylheptylamino)benzoate
CAS Name: 4-amino-2-(octan-2-ylamino)benzoic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate
SYSTEMATIC NAME: 2-methylpropyl 4-azanyl-2-(octan-2-ylamino)benzoate
MOLECULAR FORMULA: C19H32N2O2
MOLECULAR WEIGHT: 320.46958
SMILES: CCCCCCC(C)NC1=C(C=CC(=C1)N)C(=O)OCC(C)C
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Product OPENEYE NAME: 2-(1-piperidylmethyl)tetralin-1-one
CAS Name: 2-(1-piperidinylmethyl)-3,4-dihydro-2H-naphthalen-1-one
IUPAC NAME: 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SYSTEMATIC NAME: 2-(piperidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
MOLECULAR FORMULA: C16H21NO
MOLECULAR WEIGHT: 243.34404
SMILES: C1CCN(CC1)CC2CCC3=CC=CC=C3C2=O
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Product OPENEYE NAME: tetradecan-2-ol
CAS Name: 2-tetradecanol
IUPAC NAME: tetradecan-2-ol
SYSTEMATIC NAME: tetradecan-2-ol
MOLECULAR FORMULA: C14H30O
MOLECULAR WEIGHT: 214.3874
SMILES: CCCCCCCCCCCCC(C)O
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Product OPENEYE NAME: 1-isopropyl-2,4-dimethyl-benzene
CAS Name: 2,4-dimethyl-1-propan-2-ylbenzene
IUPAC NAME: 2,4-dimethyl-1-propan-2-ylbenzene
SYSTEMATIC NAME: 2,4-dimethyl-1-propan-2-yl-benzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC1=CC(=C(C=C1)C(C)C)C
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Product OPENEYE NAME: 1-isopropyl-3,5-dimethyl-benzene
CAS Name: 1,3-dimethyl-5-propan-2-ylbenzene
IUPAC NAME: 1,3-dimethyl-5-propan-2-ylbenzene
SYSTEMATIC NAME: 1,3-dimethyl-5-propan-2-yl-benzene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC1=CC(=CC(=C1)C(C)C)C
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Product OPENEYE NAME: 2,4-dihydroxy-6-propyl-benzoic acid
CAS Name: 2,4-dihydroxy-6-propylbenzoic acid
IUPAC NAME: 2,4-dihydroxy-6-propylbenzoic acid
SYSTEMATIC NAME: 2,4-bis(oxidanyl)-6-propyl-benzoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCCC1=CC(=CC(=C1C(=O)O)O)O
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Product OPENEYE NAME: 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
CAS Name: 5-(1-cyclohex-3-enyl)bicyclo[2.2.1]hept-2-ene
IUPAC NAME: 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 5-cyclohex-3-en-1-ylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C13H18
MOLECULAR WEIGHT: 174.28202
SMILES: C1CC(CC=C1)C2CC3CC2C=C3
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Product OPENEYE NAME: 1-deuteriooxybutane
CAS Name: 1-deuteriooxybutane
IUPAC NAME: 1-deuteriooxybutane
SYSTEMATIC NAME: 1-deuteriooxybutane
MOLECULAR FORMULA: C4H10O
MOLECULAR WEIGHT: 75.127762
SMILES: [2H]OCCCC
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Product OPENEYE NAME: 2-deuteriooxybutane
CAS Name: 2-deuteriooxybutane
IUPAC NAME: 2-deuteriooxybutane
SYSTEMATIC NAME: 2-deuteriooxybutane
MOLECULAR FORMULA: C4H10O
MOLECULAR WEIGHT: 75.127762
SMILES: [2H]OC(C)CC
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Product OPENEYE NAME: (1-chloro-2-phenyl-ethyl)benzene
CAS Name: (1-chloro-2-phenylethyl)benzene
IUPAC NAME: (1-chloro-2-phenylethyl)benzene
SYSTEMATIC NAME: (1-chloranyl-2-phenyl-ethyl)benzene
MOLECULAR FORMULA: C14H13Cl
MOLECULAR WEIGHT: 216.70602
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)Cl
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