4-[[2,4-bis(azanyl)-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[2,4-diamino-3-(4-sulfophenyl)azo-phenyl]azobenzenesulfonic acid CAS Name: 4-[2,4-diamino-3-(4-sulfophenyl)azophenyl]azobenzenesulfonic acid IUPAC Name: 4-[[2,4-diamino-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[2,4-diamino-3-(4-sulfophenyl)azo-phenyl]azobesylic acid Formula: C18H16N6O6S2 MolecularWeight: 476.48624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C(=C(C=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C(=C(C=C2)N)N=NC3=CC=C(C=C3)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C18H16N6O6S2/c19-15-9-10-16(23-21-11-1-5-13(6-2-11)31(25,26)27)17(20)18(15)24-22-12-3-7-14(8-4-12)32(28,29)30/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30)