Product OPENEYE NAME: [2-methyl-2-(o-tolyl)-1,3-dioxolan-4-yl]methanol
CAS Name: [2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
IUPAC NAME: [2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
SYSTEMATIC NAME: [2-methyl-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC1=CC=CC=C1C2(OCC(O2)CO)C
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Product OPENEYE NAME: (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
CAS Name: (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
IUPAC NAME: (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
SYSTEMATIC NAME: (2-phenyl-2-propyl-1,3-dioxolan-4-yl)methanol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCCC1(OCC(O1)CO)C2=CC=CC=C2
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Product OPENEYE NAME: 1-amino-3-ureido-urea
CAS Name: 1-amino-3-(carbamoylamino)urea
IUPAC NAME: 1-amino-3-(carbamoylamino)urea
SYSTEMATIC NAME: 1-(aminocarbonylamino)-3-azanyl-urea
MOLECULAR FORMULA: C2H7N5O2
MOLECULAR WEIGHT: 133.10928
SMILES: C(=O)(N)NNC(=O)NN
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Product OPENEYE NAME: 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
CAS Name: 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O7
MOLECULAR WEIGHT: 304.25158
SMILES: C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O
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Product OPENEYE NAME: 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate
CAS Name: 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylammonium; 2-hydroxy-2-oxoacetate
IUPAC NAME: 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylazanium; 2-hydroxy-2-oxoacetate
SYSTEMATIC NAME: dimethyl-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: C[NH+](C)CCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)[O-])O
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Product OPENEYE NAME: 5-methoxy-1H-indole-2-carboxylic acid
CAS Name: 5-methoxy-1H-indole-2-carboxylic acid
IUPAC NAME: 5-methoxy-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: COC1=CC2=C(C=C1)NC(=C2)C(=O)O
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Product OPENEYE NAME: 4-(hydroxymethyl)-2-isopropyl-5-methyl-phenol
CAS Name: 4-(hydroxymethyl)-5-methyl-2-propan-2-ylphenol
IUPAC NAME: 4-(hydroxymethyl)-5-methyl-2-propan-2-ylphenol
SYSTEMATIC NAME: 4-(hydroxymethyl)-5-methyl-2-propan-2-yl-phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1=CC(=C(C=C1CO)C(C)C)O
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Product OPENEYE NAME: 2-fluoroethyl 2-(2-naphthyloxy)acetate
CAS Name: 2-(2-naphthalenyloxy)acetic acid 2-fluoroethyl ester
IUPAC NAME: 2-fluoroethyl 2-naphthalen-2-yloxyacetate
SYSTEMATIC NAME: 2-fluoranylethyl 2-naphthalen-2-yloxyethanoate
MOLECULAR FORMULA: C14H13FO3
MOLECULAR WEIGHT: 248.249623
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCCF
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Product OPENEYE NAME: 2-isopropyl-5-methyl-hexanoic acid
CAS Name: 5-methyl-2-propan-2-ylhexanoic acid
IUPAC NAME: 5-methyl-2-propan-2-ylhexanoic acid
SYSTEMATIC NAME: 5-methyl-2-propan-2-yl-hexanoic acid
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CC(C)CCC(C(C)C)C(=O)O
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Product OPENEYE NAME: N-(5,5-diethyl-4-oxo-6H-1,3-thiazin-2-yl)acetamide
CAS Name: N-(5,5-diethyl-4-oxo-6H-1,3-thiazin-2-yl)acetamide
IUPAC NAME: N-(5,5-diethyl-4-oxo-6H-1,3-thiazin-2-yl)acetamide
SYSTEMATIC NAME: N-(5,5-diethyl-4-oxidanylidene-6H-1,3-thiazin-2-yl)ethanamide
MOLECULAR FORMULA: C10H16N2O2S
MOLECULAR WEIGHT: 228.31124
SMILES: CCC1(CSC(=NC1=O)NC(=O)C)CC
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Product OPENEYE NAME: N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
CAS Name: N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
IUPAC NAME: N-(4-oxo-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)acetamide
SYSTEMATIC NAME: N-(4-oxidanylidene-5-phenyl-5,6-dihydro-1,3-thiazin-2-yl)ethanamide
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: CC(=O)NC1=NC(=O)C(CS1)C2=CC=CC=C2
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Product OPENEYE NAME: [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)xanthen-4-yl]mercury
CAS Name: [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)-4-xanthenyl]mercury
IUPAC NAME: [3-hydroxy-2,7-diiodo-6-oxo-9-(2-sulfophenyl)xanthen-4-yl]mercury
SYSTEMATIC NAME: [2,7-bis(iodanyl)-3-oxidanyl-6-oxidanylidene-9-(2-sulfophenyl)xanthen-4-yl]mercury
MOLECULAR FORMULA: C19H9HgI2O6S
MOLECULAR WEIGHT: 819.7351
SMILES: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)I)O)[Hg])I)S(=O)(=O)O
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Product OPENEYE NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]ammonium iodide
CAS Name: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]ammonium iodide
IUPAC NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium iodide
MOLECULAR FORMULA: C8H18INO2
MOLECULAR WEIGHT: 287.13849
SMILES: CC1OCC(O1)C[N+](C)(C)C.[I-]
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Product OPENEYE NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]ammonium
CAS Name: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]ammonium
IUPAC NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
SYSTEMATIC NAME: trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
MOLECULAR FORMULA: C8H18NO2+
MOLECULAR WEIGHT: 160.23402
SMILES: CC1OCC(O1)C[N+](C)(C)C
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Product OPENEYE NAME: bis(2-oxoethyl)mercury
CAS Name: bis(2-oxoethyl)mercury
IUPAC NAME: bis(2-oxoethyl)mercury
SYSTEMATIC NAME: bis(2-oxidanylideneethyl)mercury
MOLECULAR FORMULA: C4H6HgO2
MOLECULAR WEIGHT: 286.67924
SMILES: C(C=O)[Hg]CC=O
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Product OPENEYE NAME: 2-hydroxy-6-isopropyl-3-methyl-benzoic acid
CAS Name: 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
IUPAC NAME: 2-hydroxy-3-methyl-6-propan-2-ylbenzoic acid
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-6-propan-2-yl-benzoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC1=C(C(=C(C=C1)C(C)C)C(=O)O)O
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Product OPENEYE NAME: 2,2,4,4,6,8,8-heptamethylnonane
CAS Name: 2,2,4,4,6,8,8-heptamethylnonane
IUPAC NAME: 2,2,4,4,6,8,8-heptamethylnonane
SYSTEMATIC NAME: 2,2,4,4,6,8,8-heptamethylnonane
MOLECULAR FORMULA: C16H34
MOLECULAR WEIGHT: 226.44116
SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
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Product OPENEYE NAME: 2-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CAS Name: 2-(3,4-dimethylanilino)-3-pyridinecarboxylic acid
IUPAC NAME: 2-(3,4-dimethylanilino)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[(3,4-dimethylphenyl)amino]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC1=C(C=C(C=C1)NC2=C(C=CC=N2)C(=O)O)C
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Product OPENEYE NAME: bis(2-chloroethyl) (4-methyl-2-oxo-chromen-7-yl) phosphate
CAS Name: phosphoric acid bis(2-chloroethyl) (4-methyl-2-oxo-1-benzopyran-7-yl) ester
IUPAC NAME: bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate
SYSTEMATIC NAME: bis(2-chloroethyl) (4-methyl-2-oxidanylidene-chromen-7-yl) phosphate
MOLECULAR FORMULA: C14H15Cl2O6P
MOLECULAR WEIGHT: 381.145061
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl
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Product OPENEYE NAME: morpholine-4-carbaldehyde
CAS Name: 4-morpholinecarboxaldehyde
IUPAC NAME: morpholine-4-carbaldehyde
SYSTEMATIC NAME: morpholine-4-carbaldehyde
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1COCCN1C=O
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Product OPENEYE NAME: 1-amino-4-anilino-anthracene-9,10-dione
CAS Name: 1-amino-4-anilinoanthracene-9,10-dione
IUPAC NAME: 1-amino-4-anilinoanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-phenylazanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C20H14N2O2
MOLECULAR WEIGHT: 314.33736
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O
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