4-[[2,4-bis(azanyl)-5-methyl-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[2,4-bis(azanyl)-5-methyl-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-[2,4-diamino-5-methyl-3-(4-sulfophenyl)azo-phenyl]azobenzenesulfonic acid CAS Name: 4-[2,4-diamino-5-methyl-3-(4-sulfophenyl)azophenyl]azobenzenesulfonic acid IUPAC Name: 4-[[2,4-diamino-5-methyl-3-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-[2,4-diamino-5-methyl-3-(4-sulfophenyl)azo-phenyl]azobesylic acid Formula: C19H18N6O6S2 MolecularWeight: 490.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)O)N)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)S(=O)(=O)O)N)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H18N6O6S2/c1-11-10-16(24-22-12-2-6-14(7-3-12)32(26,27)28)18(21)19(17(11)20)25-23-13-4-8-15(9-5-13)33(29,30)31/h2-10H,20-21H2,1H3,(H,26,27,28)(H,29,30,31)