(3Z)-6-acetamido-3-[(5-acetamido-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-6-acetamido-3-[(5-acetamido-2-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-6-acetamido-3-[(5-acetamido-2-sulfo-phenyl)hydrazono]-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-6-acetamido-3-[(5-acetamido-2-sulfophenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-6-acetamido-3-[(5-acetamido-2-sulfophenyl)hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-6-acetamido-3-[(5-acetamido-2-sulfo-phenyl)hydrazono]-4-keto-naphthalene-2-sulfonic acid Formula: C20H18N4O9S2 MolecularWeight: 522.50832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C(=NNC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(/C(=N\NC3=C(C=CC(=C3)NC(=O)C)S(=O)(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C20H18N4O9S2/c1-10(25)21-13-4-3-12-7-18(35(31,32)33)19(20(27)15(12)8-13)24-23-16-9-14(22-11(2)26)5-6-17(16)34(28,29)30/h3-9,23H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33)/b24-19+