(8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-naphthalene-1-sulfonic acid CAS Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfonic acid IUPAC Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonic acid Traditional Name: (8E)-4-acetamido-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]naphthalene-1-sulfonic acid Formula: C19H16N4O9S2 MolecularWeight: 508.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=O)C=CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C)C2=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=O)C=C/C(=N\NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C)/C2=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H16N4O9S2/c1-10(24)20-13-6-8-16(34(30,31)32)19-14(5-7-15(25)18(13)19)22-21-12-4-3-11(23(26)27)9-17(12)33(2,28)29/h3-9,21H,1-2H3,(H,20,24)(H,30,31,32)/b22-14+