(3Z)-3-[(4-acetamido-2-sulfo-phenyl)hydrazinylidene]-7-azanyl-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-3-[(4-acetamido-2-sulfo-phenyl)hydrazinylidene]-7-azanyl-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (3Z)-3-[(4-acetamido-2-sulfo-phenyl)hydrazono]-7-amino-4-oxo-naphthalene-2-sulfonic acid CAS Name: (3Z)-3-[(4-acetamido-2-sulfophenyl)hydrazinylidene]-7-amino-4-oxo-2-naphthalenesulfonic acid IUPAC Name: (3Z)-3-[(4-acetamido-2-sulfophenyl)hydrazinylidene]-7-amino-4-oxonaphthalene-2-sulfonic acid Traditional Name: (3Z)-3-[(4-acetamido-2-sulfo-phenyl)hydrazono]-7-amino-4-keto-naphthalene-2-sulfonic acid Formula: C18H16N4O8S2 MolecularWeight: 480.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H16N4O8S2/c1-9(23)20-12-3-5-14(15(8-12)31(25,26)27)21-22-17-16(32(28,29)30)7-10-6-11(19)2-4-13(10)18(17)24/h2-8,21H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)/b22-17+