(3E)-6-acetamido-4-oxidanylidene-3-[[4-(1-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3E)-6-acetamido-4-oxidanylidene-3-[[4-(1-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3E)-6-acetamido-4-oxo-3-[[4-(1-sulfooxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid CAS Name: (3E)-6-acetamido-4-oxo-3-[[4-(1-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3E)-6-acetamido-4-oxo-3-[[4-(1-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3E)-6-acetamido-4-keto-3-[[4-(1-sulfoxyethylsulfonyl)phenyl]hydrazono]naphthalene-2-sulfonic acid Formula: C20H19N3O11S3 MolecularWeight: 573.57336

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Descriptors Computed from Structure

Canonical SMILES:

CC(OS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=C(C=C3)NC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC(OS(=O)(=O)O)S(=O)(=O)C1=CC=C(C=C1)N/N=C\2/C(=CC3=C(C2=O)C=C(C=C3)NC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O11S3/c1-11(24)21-15-4-3-13-9-18(36(28,29)30)19(20(25)17(13)10-15)23-22-14-5-7-16(8-6-14)35(26,27)12(2)34-37(31,32)33/h3-10,12,22H,1-2H3,(H,21,24)(H,28,29,30)(H,31,32,33)/b23-19-