7-[(2-acetamido-4-methyl-phenyl)diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[(2-acetamido-4-methyl-phenyl)diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 7-(2-acetamido-4-methyl-phenyl)azonaphthalene-1,3-disulfonic acid CAS Name: 7-(2-acetamido-4-methylphenyl)azonaphthalene-1,3-disulfonic acid IUPAC Name: 7-[(2-acetamido-4-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 7-(2-acetamido-4-methyl-phenyl)azonaphthalene-1,3-disulfonic acid Formula: C19H17N3O7S2 MolecularWeight: 463.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C

InChI

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