(6E)-4-acetamido-5-oxidanylidene-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-acetamido-5-oxidanylidene-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-4-acetamido-5-oxo-6-(phenylhydrazono)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-acetamido-5-oxo-6-(phenylhydrazinylidene)-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-acetamido-5-oxo-6-(phenylhydrazinylidene)-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-acetamido-5-keto-6-(phenylhydrazono)-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C18H15N3O8S2 MolecularWeight: 465.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=CC=CC=C3)C2=O)SOOO

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=CC=CC=C3)/C2=O)SOOO

InChI

InChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(31(25,26)27)7-11-8-15(30-29-28-24)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,20,24H,1H3,(H,19,22)(H,25,26,27)/b21-17-