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

Systemtic Name: 3-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-4-oxidanylidene-7-[(3-phosphonophenyl)amino]naphthalene-2-sulfonic acid Openeye Name: 3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-4-oxo-7-(3-phosphonoanilino)naphthalene-2-sulfonic acid CAS Name: 3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-4-oxo-7-(3-phosphonoanilino)-2-naphthalenesulfonic acid IUPAC Name: 3-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-4-oxo-7-(3-phosphonoanilino)naphthalene-2-sulfonic acid Traditional Name: 3-[(2-hydroxy-5-nitro-phenyl)hydrazono]-4-keto-7-(3-phosphonoanilino)naphthalene-2-sulfonic acid Formula: C22H17N4O10PS MolecularWeight: 560.429941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)P(=O)(O)O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)P(=O)(O)O)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C=CC(=C4)[N+](=O)[O-])O)C(=C3)S(=O)(=O)O

InChI

InChI=1S/C22H17N4O10PS/c27-19-7-5-15(26(29)30)11-18(19)24-25-21-20(38(34,35)36)9-12-8-14(4-6-17(12)22(21)28)23-13-2-1-3-16(10-13)37(31,32)33/h1-11,23-24,27H,(H2,31,32,33)(H,34,35,36)