5-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 5-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-2-sulfo-phenyl]benzenesulfonic acid Openeye Name: 5-[[3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]azo]-2-[4-[[3-methyl-5-oxo-1-(p-tolyl)-4H-pyrazol-4-yl]azo]-2-sulfo-phenyl]benzenesulfonic acid CAS Name: 5-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]azo]-2-[4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]azo]-2-sulfophenyl]benzenesulfonic acid IUPAC Name: 5-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-[4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]-2-sulfophenyl]benzenesulfonic acid Traditional Name: 5-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-yl]azo]-2-[4-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-yl]azo]-2-sulfo-phenyl]besylic acid Formula: C34H30N8O8S2 MolecularWeight: 742.7808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)C)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)C)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H30N8O8S2/c1-19-5-11-25(12-6-19)41-33(43)31(21(3)39-41)37-35-23-9-15-27(29(17-23)51(45,46)47)28-16-10-24(18-30(28)52(48,49)50)36-38-32-22(4)40-42(34(32)44)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)