sodium 8-[(4-azanyl-2-methyl-phenyl)diazenyl]-3-sulfo-naphthalene-1-sulfonate

Systemtic Name: sodium 8-[(4-azanyl-2-methyl-phenyl)diazenyl]-3-sulfo-naphthalene-1-sulfonate Openeye Name: sodium 8-(4-amino-2-methyl-phenyl)azo-3-sulfo-naphthalene-1-sulfonate CAS Name: sodium 8-(4-amino-2-methylphenyl)azo-3-sulfo-1-naphthalenesulfonate IUPAC Name: sodium 8-[(4-amino-2-methylphenyl)diazenyl]-3-sulfonaphthalene-1-sulfonate Traditional Name: sodium 8-(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=CC=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N)N=NC2=CC=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

InChI

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