sodium 8-[(4-acetamidophenyl)diazenyl]-5-azanyl-naphthalene-2-sulfonate

Systemtic Name: sodium 8-[(4-acetamidophenyl)diazenyl]-5-azanyl-naphthalene-2-sulfonate Openeye Name: sodium 8-(4-acetamidophenyl)azo-5-amino-naphthalene-2-sulfonate CAS Name: sodium 8-(4-acetamidophenyl)azo-5-amino-2-naphthalenesulfonate IUPAC Name: sodium 8-[(4-acetamidophenyl)diazenyl]-5-aminonaphthalene-2-sulfonate Traditional Name: sodium 8-(4-acetamidophenyl)azo-5-amino-naphthalene-2-sulfonate Formula: C18H15N4NaO4S MolecularWeight: 406.39087

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H16N4O4S.Na/c1-11(23)20-12-2-4-13(5-3-12)21-22-18-9-8-17(19)15-7-6-14(10-16(15)18)27(24,25)26;/h2-10H,19H2,1H3,(H,20,23)(H,24,25,26);/q;+1/p-1