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

Systemtic Name: chromium(3+); hydron; 2-[[3-methyl-5-oxidanidyl-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Openeye Name: chromic; hydron; 2-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate CAS Name: chromium(3+); hydron; 2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)-4-pyrazolyl]azo]benzoate IUPAC Name: chromium(3+); hydron; 2-[[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]diazenyl]benzoate Traditional Name: chromic; hydron; 2-[3-methyl-5-oxido-1-(4-sulfonatophenyl)pyrazol-4-yl]azobenzoate Formula: C34H25CrN8O12S2 MolecularWeight: 853.7348

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].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-].[Cr+3]

Isomeric SMILES

[H+].[H+].[H+].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-].[Cr+3]

InChI

InChI=1S/2C17H14N4O6S.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;/h2*2-9,22H,1H3,(H,23,24)(H,25,26,27);/q;;+3/p-3