sodium (3E)-6-acetamido-4-oxidanylidene-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: sodium (3E)-6-acetamido-4-oxidanylidene-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: sodium (3E)-6-acetamido-4-oxo-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: sodium (3E)-6-acetamido-4-oxo-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: sodium (3E)-6-acetamido-4-oxo-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: sodium (3E)-6-acetamido-4-keto-3-[[3-(2-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C20H19N3NaO11S3+ MolecularWeight: 596.56313

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)O)C2=O)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N/NC3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)O)/C2=O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C20H19N3O11S3.Na/c1-12(24)21-14-6-5-13-9-18(36(28,29)30)19(20(25)17(13)11-14)23-22-15-3-2-4-16(10-15)35(26,27)8-7-34-37(31,32)33;/h2-6,9-11,22H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);/q;+1/b23-19-;