5-[[6-azanyl-2-methyl-3-[(2-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[6-azanyl-2-methyl-3-[(2-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 5-[6-amino-2-methyl-3-(2-sulfophenyl)azo-phenyl]azonaphthalene-2-sulfonic acid CAS Name: 5-[6-amino-2-methyl-3-(2-sulfophenyl)azophenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 5-[[6-amino-2-methyl-3-[(2-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 5-[6-amino-2-methyl-3-(2-sulfophenyl)azo-phenyl]azonaphthalene-2-sulfonic acid Formula: C23H19N5O6S2 MolecularWeight: 525.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N=NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)N)N=NC4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N=NC2=CC=CC3=C2C=CC(=C3)S(=O)(=O)O)N)N=NC4=CC=CC=C4S(=O)(=O)O

InChI

InChI=1S/C23H19N5O6S2/c1-14-19(25-27-21-6-2-3-8-22(21)36(32,33)34)12-11-18(24)23(14)28-26-20-7-4-5-15-13-16(35(29,30)31)9-10-17(15)20/h2-13H,24H2,1H3,(H,29,30,31)(H,32,33,34)