4-[[4-[(4-sulfophenyl)diazenyl]piperazin-1-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[4-[(4-sulfophenyl)diazenyl]piperazin-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[4-(4-sulfophenyl)azopiperazin-1-yl]azobenzenesulfonic acid CAS Name: 4-[[4-(4-sulfophenyl)azo-1-piperazinyl]azo]benzenesulfonic acid IUPAC Name: 4-[[4-[(4-sulfophenyl)diazenyl]piperazin-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[4-(4-sulfophenyl)azopiperazino]azobesylic acid Formula: C16H18N6O6S2 MolecularWeight: 454.48072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C16H18N6O6S2/c23-29(24,25)15-5-1-13(2-6-15)17-19-21-9-11-22(12-10-21)20-18-14-3-7-16(8-4-14)30(26,27)28/h1-8H,9-12H2,(H,23,24,25)(H,26,27,28)