4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-methyl-4-[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]phenyl]carbamoyl]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-methyl-4-[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]anilino]-oxomethyl]phenyl]azo-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[3-methyl-4-[[4-[[4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[4-[[4-[[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]phenyl]carbamoyl]phenyl]azo-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C33H27N9O9S2 MolecularWeight: 757.75238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)S(=O)(=O)O)C)C6=CC=C(C=C6)S(=O)(=O)O

InChI

InChI=1S/C33H27N9O9S2/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51)