Product OPENEYE NAME: [2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethyl-ammonium chloride
CAS Name: [2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylammonium chloride
IUPAC NAME: [2-benzoyloxy-2-[(dimethylamino)methyl]butyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-2-(phenylcarbonyloxy)butyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C16H27ClN2O2
MOLECULAR WEIGHT: 314.85078
SMILES: CCC(C[NH+](C)C)(CN(C)C)OC(=O)C1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: 1,1-bis[(dimethylamino)methyl]propyl benzoate
CAS Name: benzoic acid [1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] ester
IUPAC NAME: [1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] benzoate
SYSTEMATIC NAME: [1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-yl] benzoate
MOLECULAR FORMULA: C16H26N2O2
MOLECULAR WEIGHT: 278.38984
SMILES: CCC(CN(C)C)(CN(C)C)OC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: tetrapropylammonium iodide
CAS Name: tetrapropylammonium iodide
IUPAC NAME: tetrapropylazanium iodide
SYSTEMATIC NAME: tetrapropylazanium iodide
MOLECULAR FORMULA: C12H28IN
MOLECULAR WEIGHT: 313.26189
SMILES: CCC[N+](CCC)(CCC)CCC.[I-]
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Product OPENEYE NAME: tetrakis(2-hydroxyethyl)ammonium hydroxide
CAS Name: tetrakis(2-hydroxyethyl)ammonium hydroxide
IUPAC NAME: tetrakis(2-hydroxyethyl)azanium hydroxide
SYSTEMATIC NAME: tetrakis(2-hydroxyethyl)azanium hydroxide
MOLECULAR FORMULA: C8H21NO5
MOLECULAR WEIGHT: 211.25604
SMILES: C(CO)[N+](CCO)(CCO)CCO.[OH-]
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Product OPENEYE NAME: tetrakis(2-hydroxyethyl)ammonium
CAS Name: tetrakis(2-hydroxyethyl)ammonium
IUPAC NAME: tetrakis(2-hydroxyethyl)azanium
SYSTEMATIC NAME: tetrakis(2-hydroxyethyl)azanium
MOLECULAR FORMULA: C8H20NO4+
MOLECULAR WEIGHT: 194.2487
SMILES: C(CO)[N+](CCO)(CCO)CCO
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Product OPENEYE NAME: acetic acid; ammonia
CAS Name: acetic acid; ammonia
IUPAC NAME: acetic acid; azane
SYSTEMATIC NAME: azane; ethanoic acid
MOLECULAR FORMULA: C2H7NO2
MOLECULAR WEIGHT: 77.08248
SMILES: CC(=O)O.N
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Product OPENEYE NAME: 2,2-dibromoacetic acid
CAS Name: 2,2-dibromoacetic acid
IUPAC NAME: 2,2-dibromoacetic acid
SYSTEMATIC NAME: 2,2-bis(bromanyl)ethanoic acid
MOLECULAR FORMULA: C2H2Br2O2
MOLECULAR WEIGHT: 217.84408
SMILES: C(C(=O)O)(Br)Br
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Product OPENEYE NAME: N,N-dimethylthioacetamide
CAS Name: N,N-dimethylethanethioamide
IUPAC NAME: N,N-dimethylethanethioamide
SYSTEMATIC NAME: N,N-dimethylethanethioamide
MOLECULAR FORMULA: C4H9NS
MOLECULAR WEIGHT: 103.18596
SMILES: CC(=S)N(C)C
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Product OPENEYE NAME: 1,1,3-trimethylurea
CAS Name: 1,1,3-trimethylurea
IUPAC NAME: 1,1,3-trimethylurea
SYSTEMATIC NAME: 1,1,3-trimethylurea
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: CNC(=O)N(C)C
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Product OPENEYE NAME: 1,1,3,3-tetrachloropropan-2-one
CAS Name: 1,1,3,3-tetrachloro-2-propanone
IUPAC NAME: 1,1,3,3-tetrachloropropan-2-one
SYSTEMATIC NAME: 1,1,3,3-tetrakis(chloranyl)propan-2-one
MOLECULAR FORMULA: C3H2Cl4O
MOLECULAR WEIGHT: 195.85938
SMILES: C(C(=O)C(Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: 1,1,3,3-tetramethylurea
CAS Name: 1,1,3,3-tetramethylurea
IUPAC NAME: 1,1,3,3-tetramethylurea
SYSTEMATIC NAME: 1,1,3,3-tetramethylurea
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CN(C)C(=O)N(C)C
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Product OPENEYE NAME: 2-sulfobenzoic acid
CAS Name: 2-sulfobenzoic acid
IUPAC NAME: 2-sulfobenzoic acid
SYSTEMATIC NAME: 2-sulfobenzoic acid
MOLECULAR FORMULA: C7H6O5S
MOLECULAR WEIGHT: 202.18454
SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: 2,6-dimethylbenzoic acid
CAS Name: 2,6-dimethylbenzoic acid
IUPAC NAME: 2,6-dimethylbenzoic acid
SYSTEMATIC NAME: 2,6-dimethylbenzoic acid
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=C(C(=CC=C1)C)C(=O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20ClNO4
MOLECULAR WEIGHT: 361.8194
SMILES: C[NH+]1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3.[Cl-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3
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Product OPENEYE NAME: 3,4,5,6-tetrachlorophthalic acid
CAS Name: 3,4,5,6-tetrachlorophthalic acid
IUPAC NAME: 3,4,5,6-tetrachlorophthalic acid
SYSTEMATIC NAME: 3,4,5,6-tetrakis(chloranyl)phthalic acid
MOLECULAR FORMULA: C8H2Cl4O4
MOLECULAR WEIGHT: 303.91108
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4,5,6,7-tetrabromoisobenzofuran-1,3-dione
CAS Name: 4,5,6,7-tetrabromoisobenzofuran-1,3-dione
IUPAC NAME: 4,5,6,7-tetrabromo-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4,5,6,7-tetrakis(bromanyl)-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8Br4O3
MOLECULAR WEIGHT: 463.6998
SMILES: C12=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)OC2=O
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Product OPENEYE NAME: 1-bromoanthracene-9,10-dione
CAS Name: 1-bromoanthracene-9,10-dione
IUPAC NAME: 1-bromoanthracene-9,10-dione
SYSTEMATIC NAME: 1-bromanylanthracene-9,10-dione
MOLECULAR FORMULA: C14H7BrO2
MOLECULAR WEIGHT: 287.10818
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Br
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Product OPENEYE NAME: diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
IUPAC NAME: diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C14H21NO4
MOLECULAR WEIGHT: 267.32084
SMILES: CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C
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Product OPENEYE NAME: 4-[(4-aminophenyl)-(4-imino-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
CAS Name: 4-[(4-aminophenyl)-(4-imino-3-methyl-1-cyclohexa-2,5-dienylidene)methyl]aniline hydrochloride
IUPAC NAME: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
SYSTEMATIC NAME: 4-[(4-aminophenyl)-(4-azanylidene-3-methyl-cyclohexa-2,5-dien-1-ylidene)methyl]aniline hydrochloride
MOLECULAR FORMULA: C20H20ClN3
MOLECULAR WEIGHT: 337.8459
SMILES: CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl
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