Product OPENEYE NAME: 1,1,2-trifluoro-3-isopropyl-4-methyl-pentane
CAS Name: 1,1,2-trifluoro-4-methyl-3-propan-2-ylpentane
IUPAC NAME: 1,1,2-trifluoro-4-methyl-3-propan-2-ylpentane
SYSTEMATIC NAME: 1,1,2-tris(fluoranyl)-4-methyl-3-propan-2-yl-pentane
MOLECULAR FORMULA: C9H17F3
MOLECULAR WEIGHT: 182.22649
SMILES: CC(C)C(C(C)C)C(C(F)F)F
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Product OPENEYE NAME: (E)-[3-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enylidene]-[4-(trifluoromethyl)phenyl]ammonium
CAS Name: (E)-[3-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enylidene]-[4-(trifluoromethyl)phenyl]ammonium
IUPAC NAME: (E)-[3-(3,4-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enylidene]-[4-(trifluoromethyl)phenyl]azanium
SYSTEMATIC NAME: (E)-[3-(3,4-dichlorophenyl)-3-[[4-(trifluoromethyl)phenyl]amino]prop-2-enylidene]-[4-(trifluoromethyl)phenyl]azanium
MOLECULAR FORMULA: C23H15Cl2F6N2+
MOLECULAR WEIGHT: 504.275019
SMILES: C1=CC(=CC=C1C(F)(F)F)NC(=C/C=[NH+]/C2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (E)-[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]-[6-[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]ammoniohexyl]ammonium
CAS Name: (E)-[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]-[6-[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]ammoniohexyl]ammonium
IUPAC NAME: (E)-[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]-[6-[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]azaniumylhexyl]azanium
SYSTEMATIC NAME: (E)-[azanyl-[[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]-[6-[azanyl-[[azanyl-[(4-chlorophenyl)amino]methylidene]amino]methylidene]azaniumylhexyl]azanium
MOLECULAR FORMULA: C22H32Cl2N10+2
MOLECULAR WEIGHT: 507.46248
SMILES: C1=CC(=CC=C1NC(=N/C(=[NH+]/CCCCCC/[NH+]=C(/N=C(NC2=CC=C(C=C2)Cl)N)\N)/N)N)Cl
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Product OPENEYE NAME: (Z)-[2-chloro-5-[(5-methyl-3-oxo-cyclohexen-1-yl)amino]phenyl]-(1-hydroxypropylidene)ammonium
CAS Name: (Z)-[2-chloro-5-[(5-methyl-3-oxo-1-cyclohexenyl)amino]phenyl]-(1-hydroxypropylidene)ammonium
IUPAC NAME: (Z)-[2-chloro-5-[(5-methyl-3-oxocyclohexen-1-yl)amino]phenyl]-(1-hydroxypropylidene)azanium
SYSTEMATIC NAME: (Z)-[2-chloranyl-5-[(5-methyl-3-oxidanylidene-cyclohexen-1-yl)amino]phenyl]-(1-oxidanylpropylidene)azanium
MOLECULAR FORMULA: C16H20ClN2O2+
MOLECULAR WEIGHT: 307.7952
SMILES: CC/C(=[NH+]/C1=C(C=CC(=C1)NC2=CC(=O)CC(C2)C)Cl)/O
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Product OPENEYE NAME: (Z)-allyl-[ethylsulfanyl-[2-(5-methoxyindolin-3-yl)ethylamino]methylene]ammonium
CAS Name: (Z)-[(ethylthio)-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylamino]methylidene]-prop-2-enylammonium
IUPAC NAME: (Z)-[ethylsulfanyl-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylamino]methylidene]-prop-2-enylazanium
SYSTEMATIC NAME: (Z)-[ethylsulfanyl-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylamino]methylidene]-prop-2-enyl-azanium
MOLECULAR FORMULA: C17H26N3OS+
MOLECULAR WEIGHT: 320.47284
SMILES: CCS/C(=[NH+]\CC=C)/NCCC1CNC2=C1C=C(C=C2)OC
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Product OPENEYE NAME: (E)-[3-(3-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(3-chlorophenyl)ammonium
CAS Name: (E)-[3-(3-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(3-chlorophenyl)ammonium
IUPAC NAME: (E)-[3-(3-chloroanilino)-3-(4-chlorophenyl)prop-2-enylidene]-(3-chlorophenyl)azanium
SYSTEMATIC NAME: (E)-(3-chlorophenyl)-[3-(4-chlorophenyl)-3-[(3-chlorophenyl)amino]prop-2-enylidene]azanium
MOLECULAR FORMULA: C21H16Cl3N2+
MOLECULAR WEIGHT: 402.72414
SMILES: C1=CC(=CC(=C1)Cl)NC(=C/C=[NH+]/C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: [2-[N-(1-carboxyethyl)-C-methyl-carbonimidoyl]phenyl]-(pyridine-2-carbonyl)azanide; nickel
CAS Name: [2-[1-(1-carboxyethylimino)ethyl]phenyl]-[oxo(2-pyridinyl)methyl]azanide; nickel
IUPAC NAME: [2-[N-(1-carboxyethyl)-C-methylcarbonimidoyl]phenyl]-(pyridine-2-carbonyl)azanide; nickel
SYSTEMATIC NAME: [2-[C-methyl-N-(1-oxidanyl-1-oxidanylidene-propan-2-yl)carbonimidoyl]phenyl]-pyridin-2-ylcarbonyl-azanide; nickel
MOLECULAR FORMULA: C17H16N3NiO3-
MOLECULAR WEIGHT: 369.02064
SMILES: CC(C(=O)O)N=C(C)C1=CC=CC=C1[N-]C(=O)C2=CC=CC=N2.[Ni]
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Product OPENEYE NAME: (E)-[amino-(2,4-dioxo-3-phenyl-thiazolidin-5-yl)sulfanyl-methylene]-(4-sulfamoylphenyl)ammonium
CAS Name: (E)-[amino-[(2,4-dioxo-3-phenyl-5-thiazolidinyl)thio]methylidene]-(4-sulfamoylphenyl)ammonium
IUPAC NAME: (E)-[amino-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)sulfanyl]methylidene]-(4-sulfamoylphenyl)azanium
SYSTEMATIC NAME: (E)-[azanyl-[[2,4-bis(oxidanylidene)-3-phenyl-1,3-thiazolidin-5-yl]sulfanyl]methylidene]-(4-sulfamoylphenyl)azanium
MOLECULAR FORMULA: C16H15N4O4S3+
MOLECULAR WEIGHT: 423.5097
SMILES: C1=CC=C(C=C1)N2C(=O)C(SC2=O)S/C(=[NH+]/C3=CC=C(C=C3)S(=O)(=O)N)/N
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Product OPENEYE NAME: (E)-hexyl-(2-nitro-3-oxo-propylidene)ammonium
CAS Name: (E)-hexyl-(2-nitro-3-oxopropylidene)ammonium
IUPAC NAME: (E)-hexyl-(2-nitro-3-oxopropylidene)azanium
SYSTEMATIC NAME: (E)-hexyl-(2-nitro-3-oxidanylidene-propylidene)azanium
MOLECULAR FORMULA: C9H17N2O3+
MOLECULAR WEIGHT: 201.24288
SMILES: CCCCCC/[NH+]=C/C(C=O)[N+](=O)[O-]
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Product OPENEYE NAME: 3,3-diethylpentane-1-sulfinic acid
CAS Name: 3,3-diethyl-1-pentanesulfinic acid
IUPAC NAME: 3,3-diethylpentane-1-sulfinic acid
SYSTEMATIC NAME: 3,3-diethylpentane-1-sulfinic acid
MOLECULAR FORMULA: C9H20O2S
MOLECULAR WEIGHT: 192.3189
SMILES: CCC(CC)(CC)CCS(=O)O
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Product OPENEYE NAME: 2-butylhexane-1-sulfinic acid
CAS Name: 2-butyl-1-hexanesulfinic acid
IUPAC NAME: 2-butylhexane-1-sulfinic acid
SYSTEMATIC NAME: 2-butylhexane-1-sulfinic acid
MOLECULAR FORMULA: C10H22O2S
MOLECULAR WEIGHT: 206.34548
SMILES: CCCCC(CCCC)CS(=O)O
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Product OPENEYE NAME: (2-carboxyphenyl)-chloro-mercury
CAS Name: (2-carboxyphenyl)-chloromercury
IUPAC NAME: (2-carboxyphenyl)-chloromercury
SYSTEMATIC NAME: (2-carboxyphenyl)-chloranyl-mercury
MOLECULAR FORMULA: C7H5ClHgO2
MOLECULAR WEIGHT: 357.1564
SMILES: C1=CC=C(C(=C1)C(=O)O)[Hg]Cl
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Product OPENEYE NAME: 2-hydroxybenzoic acid; nickel; dihydrate
CAS Name: 2-hydroxybenzoic acid; nickel; dihydrate
IUPAC NAME: 2-hydroxybenzoic acid; nickel; dihydrate
SYSTEMATIC NAME: nickel; 2-oxidanylbenzoic acid; dihydrate
MOLECULAR FORMULA: C7H10NiO5
MOLECULAR WEIGHT: 232.8447
SMILES: C1=CC=C(C(=C1)C(=O)O)O.O.O.[Ni]
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Product OPENEYE NAME: 5-isopropenyl-2-methyl-cyclohex-2-en-1-ol
CAS Name: 2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enol
IUPAC NAME: 2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
SYSTEMATIC NAME: 2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-ol
MOLECULAR FORMULA: C10H15O-
MOLECULAR WEIGHT: 151.2255
SMILES: CC1=CCC(C[C-]1O)C(=C)C
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Product OPENEYE NAME: 6-[2-(2-piperidyl)vinyl]-1,2-dihydropyridine
CAS Name: 6-[2-(2-piperidinyl)ethenyl]-1,2-dihydropyridine
IUPAC NAME: 6-(2-piperidin-2-ylethenyl)-1,2-dihydropyridine
SYSTEMATIC NAME: 6-(2-piperidin-2-ylethenyl)-1,2-dihydropyridine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1CCNC(C1)C=CC2=CC=CCN2
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Product OPENEYE NAME: copper; 2-azanidylethylazanide; phthalic acid
CAS Name: copper; 2-azanidylethylazanide; phthalic acid
IUPAC NAME: copper; 2-azanidylethylazanide; phthalic acid
SYSTEMATIC NAME: copper; 2-azanidylethylazanide; phthalic acid
MOLECULAR FORMULA: C10H12CuN2O4
MOLECULAR WEIGHT: 287.75928
SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)O.C(C[NH-])[NH-].[Cu+2]
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Product OPENEYE NAME: (2-azanidylcyclohexyl)azanide; 2-hydroxybenzoic acid; platinum(2+)
CAS Name: (2-azanidylcyclohexyl)azanide; 2-hydroxybenzoic acid; platinum(2+)
IUPAC NAME: (2-azanidylcyclohexyl)azanide; 2-hydroxybenzoic acid; platinum(2+)
SYSTEMATIC NAME: (2-azanidylcyclohexyl)azanide; 2-oxidanylbenzoic acid; platinum(2+)
MOLECULAR FORMULA: C13H18N2O3Pt
MOLECULAR WEIGHT: 445.37162
SMILES: C1CCC(C(C1)[NH-])[NH-].C1=CC=C(C(=C1)C(=O)O)O.[Pt+2]
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Product OPENEYE NAME: tricyclohexylbismuth(2+)
CAS Name: tricyclohexylbismuth(2+)
IUPAC NAME: tricyclohexylbismuth(2+)
SYSTEMATIC NAME: tricyclohexylbismuth(2+)
MOLECULAR FORMULA: C18H33Bi+2
MOLECULAR WEIGHT: 458.435
SMILES: C1CCC(CC1)[Bi+2](C2CCCCC2)C3CCCCC3
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