(6E)-6-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-methyl-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6E)-6-[(4-methoxy-2-sulfo-phenyl)hydrazinylidene]-4-methyl-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6E)-6-[(4-methoxy-2-sulfo-phenyl)hydrazono]-4-methyl-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-6-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-4-methyl-5-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6E)-6-[(4-methoxy-2-sulfophenyl)hydrazinylidene]-4-methyl-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-5-keto-6-[(4-methoxy-2-sulfo-phenyl)hydrazono]-4-methyl-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C18H16N2O11S3 MolecularWeight: 532.52144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=NNC3=C(C=C(C=C3)OC)S(=O)(=O)O)C2=O)SOOO

Isomeric SMILES

CC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(/C(=N/NC3=C(C=C(C=C3)OC)S(=O)(=O)O)/C2=O)SOOO

InChI

InChI=1S/C18H16N2O11S3/c1-9-5-12(33(23,24)25)6-10-7-14(32-31-30-22)17(18(21)16(9)10)20-19-13-4-3-11(29-2)8-15(13)34(26,27)28/h3-8,19,22H,1-2H3,(H,23,24,25)(H,26,27,28)/b20-17-