sodium 7-[(4-azanyl-2-methyl-phenyl)diazenyl]-3-sulfo-naphthalene-1-sulfonate

Systemtic Name: sodium 7-[(4-azanyl-2-methyl-phenyl)diazenyl]-3-sulfo-naphthalene-1-sulfonate Openeye Name: sodium 7-(4-amino-2-methyl-phenyl)azo-3-sulfo-naphthalene-1-sulfonate CAS Name: sodium 7-(4-amino-2-methylphenyl)azo-3-sulfo-1-naphthalenesulfonate IUPAC Name: sodium 7-[(4-amino-2-methylphenyl)diazenyl]-3-sulfonaphthalene-1-sulfonate Traditional Name: sodium 7-(4-amino-2-methyl-phenyl)azo-3-sulfo-naphthalene-1-sulfonate Formula: C17H14N3NaO6S2 MolecularWeight: 443.42933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H15N3O6S2.Na/c1-10-6-12(18)3-5-16(10)20-19-13-4-2-11-7-14(27(21,22)23)9-17(15(11)8-13)28(24,25)26;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);/q;+1/p-1