2-[(2,4-dimethyl-5-sulfo-phenyl)diazenyl]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 2-[(2,4-dimethyl-5-sulfo-phenyl)diazenyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 2-(2,4-dimethyl-5-sulfo-phenyl)azo-4-hydroxy-naphthalene-1-sulfonic acid CAS Name: 2-(2,4-dimethyl-5-sulfophenyl)azo-4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 2-[(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid Traditional Name: 2-(2,4-dimethyl-5-sulfo-phenyl)azo-4-hydroxy-naphthalene-1-sulfonic acid Formula: C18H16N2O7S2 MolecularWeight: 436.45884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)O)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C(C3=CC=CC=C3C(=C2)O)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C18H16N2O7S2/c1-10-7-11(2)17(28(22,23)24)9-14(10)19-20-15-8-16(21)12-5-3-4-6-13(12)18(15)29(25,26)27/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)