(6Z)-4-acetamido-6-[(5-ethanoyl-2-methyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-acetamido-6-[(5-ethanoyl-2-methyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-acetamido-6-[(5-acetyl-2-methyl-phenyl)hydrazono]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6Z)-4-acetamido-6-[(5-acetyl-2-methylphenyl)hydrazinylidene]-5-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-acetamido-6-[(5-acetyl-2-methylphenyl)hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6Z)-4-acetamido-6-[(5-acetyl-2-methyl-phenyl)hydrazono]-5-keto-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C21H19N3O9S2 MolecularWeight: 521.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C)NN=C2C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)SOOO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C)N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)NC(=O)C)S(=O)(=O)O)SOOO

InChI

InChI=1S/C21H19N3O9S2/c1-10-4-5-13(11(2)25)7-16(10)23-24-20-18(34-33-32-28)8-14-6-15(35(29,30)31)9-17(22-12(3)26)19(14)21(20)27/h4-9,23,28H,1-3H3,(H,22,26)(H,29,30,31)/b24-20+