(3E)-3-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-6-(methylamino)-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3E)-3-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-6-(methylamino)-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3E)-3-[(4-methoxy-2-sulfo-phenyl)hydrazono]-6-(methylamino)-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3E)-3-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-6-(methylamino)-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3E)-3-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-6-(methylamino)-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3E)-4-keto-3-[(4-methoxy-2-sulfo-phenyl)hydrazono]-6-(methylamino)naphthalene-2-sulfonic acid Formula: C18H17N3O8S2 MolecularWeight: 467.47288

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C=C(C(=NNC3=C(C=C(C=C3)OC)S(=O)(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC2=C(C=C1)C=C(/C(=N/NC3=C(C=C(C=C3)OC)S(=O)(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C18H17N3O8S2/c1-19-11-4-3-10-7-16(31(26,27)28)17(18(22)13(10)8-11)21-20-14-6-5-12(29-2)9-15(14)30(23,24)25/h3-9,19-20H,1-2H3,(H,23,24,25)(H,26,27,28)/b21-17-