6-[[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 6-[[4-[[2,4-bis(azanyl)-5-methyl-phenyl]diazenyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 6-[[4-(2,4-diamino-5-methyl-phenyl)azobenzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 6-[[[4-(2,4-diamino-5-methylphenyl)azophenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 6-[[4-[(2,4-diamino-5-methylphenyl)diazenyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 6-[[4-(2,4-diamino-5-methyl-phenyl)azobenzoyl]amino]naphthalene-2-sulfonic acid Formula: C24H21N5O4S MolecularWeight: 475.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1N)N)N=NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C24H21N5O4S/c1-14-10-23(22(26)13-21(14)25)29-28-18-6-2-15(3-7-18)24(30)27-19-8-4-17-12-20(34(31,32)33)9-5-16(17)11-19/h2-13H,25-26H2,1H3,(H,27,30)(H,31,32,33)