2-[(2-azanyl-4-methyl-5-sulfo-phenyl)diazenyl]-6-methyl-naphthalene-1-sulfonic acid

Systemtic Name: 2-[(2-azanyl-4-methyl-5-sulfo-phenyl)diazenyl]-6-methyl-naphthalene-1-sulfonic acid Openeye Name: 2-(2-amino-4-methyl-5-sulfo-phenyl)azo-6-methyl-naphthalene-1-sulfonic acid CAS Name: 2-(2-amino-4-methyl-5-sulfophenyl)azo-6-methyl-1-naphthalenesulfonic acid IUPAC Name: 2-[(2-amino-4-methyl-5-sulfophenyl)diazenyl]-6-methylnaphthalene-1-sulfonic acid Traditional Name: 2-(2-amino-4-methyl-5-sulfo-phenyl)azo-6-methyl-naphthalene-1-sulfonic acid Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C=C2)N=NC3=C(C=C(C(=C3)S(=O)(=O)O)C)N)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C=C2)N=NC3=C(C=C(C(=C3)S(=O)(=O)O)C)N)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O6S2/c1-10-3-5-13-12(7-10)4-6-15(18(13)29(25,26)27)20-21-16-9-17(28(22,23)24)11(2)8-14(16)19/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)