3-[(2-acetamido-4-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[(2-acetamido-4-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(2-acetamido-4-methyl-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(2-acetamido-4-methylphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2-acetamido-4-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(2-acetamido-4-methyl-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C19H17N3O7S2 MolecularWeight: 463.48418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C19H17N3O7S2/c1-11-6-7-16(17(8-11)20-12(2)23)22-21-13-9-15-14(19(10-13)31(27,28)29)4-3-5-18(15)30(24,25)26/h3-10H,1-2H3,(H,20,23)(H,24,25,26)(H,27,28,29)