N-butylbutan-1-amine; chromium(3+); N-cyclohexylcyclohexanamine; hydron; 2-[[3-methyl-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate

Systemtic Name: N-butylbutan-1-amine; chromium(3+); N-cyclohexylcyclohexanamine; hydron; 2-[[3-methyl-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Openeye Name: chromic; N-butylbutan-1-amine; N-cyclohexylcyclohexanamine; hydron; 2-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate CAS Name: N-butyl-1-butanamine; chromium(3+); N-cyclohexylcyclohexanamine; hydron; 2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)-4-pyrazolyl]azo]benzoate IUPAC Name: N-butylbutan-1-amine; chromium(3+); N-cyclohexylcyclohexanamine; hydron; 2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Traditional Name: chromic; dibutylamine; dicyclohexylamine; hydron; 2-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate Formula: C54H67CrN10O12S2 MolecularWeight: 1164.29568

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].CCCCNCCCC.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].C1CCC(CC1)NC2CCCCC2.[Cr+3]

Isomeric SMILES

[H+].[H+].[H+].CCCCNCCCC.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].C1CCC(CC1)NC2CCCCC2.[Cr+3]

InChI

InChI=1S/2C17H14N4O6S.C12H23N.C8H19N.Cr/c2*1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-5-7-9-8-6-4-2;/h2*2-9,22H,1H3,(H,23,24)(H,25,26,27);11-13H,1-10H2;9H,3-8H2,1-2H3;/q;;;;+3/p-3