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

Systemtic Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-naphthalene-2-sulfonic acid CAS Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-2-naphthalenesulfonic acid IUPAC Name: (8E)-4-acetamido-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2-sulfonic acid Traditional Name: (8E)-4-acetamido-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]naphthalene-2-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=CC(=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=CC(=C1)S(=O)(=O)O

InChI

InChI=1S/C19H16N4O9S2/c1-10(24)20-16-9-12(34(30,31)32)8-13-14(5-6-17(25)19(13)16)21-22-15-4-3-11(23(26)27)7-18(15)33(2,28)29/h3-9,22H,1-2H3,(H,20,24)(H,30,31,32)/b21-14+