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

Systemtic Name: 3-[(2-acetamido-5-methoxy-4-methyl-phenyl)diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-(2-acetamido-5-methoxy-4-methyl-phenyl)azonaphthalene-1,5-disulfonic acid CAS Name: 3-(2-acetamido-5-methoxy-4-methylphenyl)azonaphthalene-1,5-disulfonic acid IUPAC Name: 3-[(2-acetamido-5-methoxy-4-methylphenyl)diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-(2-acetamido-5-methoxy-4-methyl-phenyl)azonaphthalene-1,5-disulfonic acid Formula: C20H19N3O8S2 MolecularWeight: 493.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC)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=C1OC)N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

InChI

InChI=1S/C20H19N3O8S2/c1-11-7-16(21-12(2)24)17(10-18(11)31-3)23-22-13-8-15-14(20(9-13)33(28,29)30)5-4-6-19(15)32(25,26)27/h4-10H,1-3H3,(H,21,24)(H,25,26,27)(H,28,29,30)