Product OPENEYE NAME: 4-chlorobenzene-1,3-diamine
CAS Name: 4-chlorobenzene-1,3-diamine
IUPAC NAME: 4-chlorobenzene-1,3-diamine
SYSTEMATIC NAME: 4-chloranylbenzene-1,3-diamine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: C1=CC(=C(C=C1N)N)Cl
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Product OPENEYE NAME: 1-butoxypropan-2-ol
CAS Name: 1-butoxy-2-propanol
IUPAC NAME: 1-butoxypropan-2-ol
SYSTEMATIC NAME: 1-butoxypropan-2-ol
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CCCCOCC(C)O
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Product OPENEYE NAME: methyl acridine-9-carboxylate
CAS Name: 9-acridinecarboxylic acid methyl ester
IUPAC NAME: methyl acridine-9-carboxylate
SYSTEMATIC NAME: methyl acridine-9-carboxylate
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: COC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31
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Product OPENEYE NAME: 1-(diaminomethylene)-2-[(5-methyl-2-furyl)methyl]guanidine
CAS Name: 1-(diaminomethylidene)-2-[(5-methyl-2-furanyl)methyl]guanidine
IUPAC NAME: 1-(diaminomethylidene)-2-[(5-methylfuran-2-yl)methyl]guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-[(5-methylfuran-2-yl)methyl]guanidine
MOLECULAR FORMULA: C8H13N5O
MOLECULAR WEIGHT: 195.22172
SMILES: CC1=CC=C(O1)CN=C(N)N=C(N)N
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Product OPENEYE NAME: 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
CAS Name: 1-(1-ethyl-3-indolyl)-2-(methylamino)ethanol
IUPAC NAME: 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
SYSTEMATIC NAME: 1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CCN1C=C(C2=CC=CC=C21)C(CNC)O
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Product OPENEYE NAME: 2-(dimethylamino)-1-(1-isopropylindol-3-yl)ethanol
CAS Name: 2-(dimethylamino)-1-(1-propan-2-yl-3-indolyl)ethanol
IUPAC NAME: 2-(dimethylamino)-1-(1-propan-2-ylindol-3-yl)ethanol
SYSTEMATIC NAME: 2-(dimethylamino)-1-(1-propan-2-ylindol-3-yl)ethanol
MOLECULAR FORMULA: C15H22N2O
MOLECULAR WEIGHT: 246.34798
SMILES: CC(C)N1C=C(C2=CC=CC=C21)C(CN(C)C)O
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Product OPENEYE NAME: 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
CAS Name: 2-(dimethylamino)-1-(1-ethyl-3-indolyl)ethanol
IUPAC NAME: 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
SYSTEMATIC NAME: 2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CCN1C=C(C2=CC=CC=C21)C(CN(C)C)O
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Product OPENEYE NAME: methyl(trioctyl)ammonium chloride
CAS Name: methyl(trioctyl)ammonium chloride
IUPAC NAME: methyl(trioctyl)azanium chloride
SYSTEMATIC NAME: methyl(trioctyl)azanium chloride
MOLECULAR FORMULA: C25H54ClN
MOLECULAR WEIGHT: 404.15596
SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]
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Product OPENEYE NAME: methyl(trioctyl)ammonium
CAS Name: methyl(trioctyl)ammonium
IUPAC NAME: methyl(trioctyl)azanium
SYSTEMATIC NAME: methyl(trioctyl)azanium
MOLECULAR FORMULA: C25H54N+
MOLECULAR WEIGHT: 368.70296
SMILES: CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
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Product OPENEYE NAME: 2-sulfobutanedioic acid
CAS Name: 2-sulfobutanedioic acid
IUPAC NAME: 2-sulfobutanedioic acid
SYSTEMATIC NAME: 2-sulfobutanedioic acid
MOLECULAR FORMULA: C4H6O7S
MOLECULAR WEIGHT: 198.15124
SMILES: C(C(C(=O)O)S(=O)(=O)O)C(=O)O
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Product OPENEYE NAME: disodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate
CAS Name: disodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]iminio]-1-cyclohexa-2,5-dienylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate
IUPAC NAME: disodium 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]anilino]methyl]benzenesulfonate
SYSTEMATIC NAME: disodium 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(4-sulfonatophenyl)methyl]phenyl]amino]methyl]benzenesulfonate
MOLECULAR FORMULA: C37H34N2Na2O9S3
MOLECULAR WEIGHT: 792.8484
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-sulfophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]ammonium
CAS Name: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-sulfophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-[(3-sulfophenyl)methyl]ammonium
IUPAC NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
SYSTEMATIC NAME: ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(4-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-[(3-sulfophenyl)methyl]azanium
MOLECULAR FORMULA: C37H37N2O9S3+
MOLECULAR WEIGHT: 749.89268
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=C(C=C5)S(=O)(=O)O
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Product OPENEYE NAME: 2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate
CAS Name: 2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate
IUPAC NAME: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate
SYSTEMATIC NAME: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazol-1-ium nitrate
MOLECULAR FORMULA: C14H15N3O3
MOLECULAR WEIGHT: 273.2872
SMILES: C1CN=C([NH2+]1)CC2=CC=CC3=CC=CC=C32.[N+](=O)([O-])[O-]
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Product OPENEYE NAME: 1,10-phenanthroline hydrate
CAS Name: 1,10-phenanthroline hydrate
IUPAC NAME: 1,10-phenanthroline hydrate
SYSTEMATIC NAME: 1,10-phenanthroline hydrate
MOLECULAR FORMULA: C12H10N2O
MOLECULAR WEIGHT: 198.2206
SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.O
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Product OPENEYE NAME: 3,5-dimethyltetrahydrofuran-2-one
CAS Name: 3,5-dimethyl-2-oxolanone
IUPAC NAME: 3,5-dimethyloxolan-2-one
SYSTEMATIC NAME: 3,5-dimethyloxolan-2-one
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC1CC(OC1=O)C
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Product OPENEYE NAME: 2-ethylsulfanylpropane
CAS Name: 2-(ethylthio)propane
IUPAC NAME: 2-ethylsulfanylpropane
SYSTEMATIC NAME: 2-ethylsulfanylpropane
MOLECULAR FORMULA: C5H12S
MOLECULAR WEIGHT: 104.21378
SMILES: CCSC(C)C
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