3-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-(sulfomethylamino)naphthalene-2-sulfonic acid

Systemtic Name: 3-[(5-nitro-2-oxidanyl-3-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-7-(sulfomethylamino)naphthalene-2-sulfonic acid Openeye Name: 3-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-4-oxo-7-(sulfomethylamino)naphthalene-2-sulfonic acid CAS Name: 3-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-4-oxo-7-(sulfomethylamino)-2-naphthalenesulfonic acid IUPAC Name: 3-[(2-hydroxy-5-nitro-3-sulfophenyl)hydrazinylidene]-4-oxo-7-(sulfomethylamino)naphthalene-2-sulfonic acid Traditional Name: 3-[(2-hydroxy-5-nitro-3-sulfo-phenyl)hydrazono]-4-keto-7-(sulfomethylamino)naphthalene-2-sulfonic acid Formula: C17H14N4O13S3 MolecularWeight: 578.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NCS(=O)(=O)O)C=C(C(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-])C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1NCS(=O)(=O)O)C=C(C(=NNC3=CC(=CC(=C3O)S(=O)(=O)O)[N+](=O)[O-])C2=O)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O13S3/c22-16-11-2-1-9(18-7-35(26,27)28)3-8(11)4-13(36(29,30)31)15(16)20-19-12-5-10(21(24)25)6-14(17(12)23)37(32,33)34/h1-6,18-19,23H,7H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)