disodium (6E)-4-acetamido-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-acetamido-7-oxidanidylperoxysulfanyl-5-oxidanylidene-6-(phenylhydrazinylidene)naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-acetamido-7-oxidoperoxysulfanyl-5-oxo-6-(phenylhydrazono)naphthalene-2-sulfonate CAS Name: disodium (6E)-4-acetamido-7-(oxidodioxythio)-5-oxo-6-(phenylhydrazinylidene)-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-acetamido-7-oxidoperoxysulfanyl-5-oxo-6-(phenylhydrazinylidene)naphthalene-2-sulfonate Traditional Name: disodium (6E)-4-acetamido-5-keto-7-(oxidoperoxythio)-6-(phenylhydrazono)naphthalene-2-sulfonate Formula: C18H13N3Na2O8S2 MolecularWeight: 509.42066

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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)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N/NC3=CC=CC=C3)/C2=O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C18H15N3O8S2.2Na/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);;/q;2*+1/p-2/b21-17-;;