5-[(3-azanyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 5-[(3-azanyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 5-[(3-amino-2-hydroxy-5-nitro-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonic acid CAS Name: 5-[(3-amino-2-hydroxy-5-nitrophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonic acid IUPAC Name: 5-[(3-amino-2-hydroxy-5-nitrophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonic acid Traditional Name: 5-[(3-amino-2-hydroxy-5-nitro-phenyl)hydrazono]-6-keto-naphthalene-2-sulfonic acid Formula: C16H12N4O7S MolecularWeight: 404.35408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=NNC3=C(C(=CC(=C3)[N+](=O)[O-])N)O)C=C1S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=O)C2=NNC3=C(C(=CC(=C3)[N+](=O)[O-])N)O)C=C1S(=O)(=O)O

InChI

InChI=1S/C16H12N4O7S/c17-12-6-9(20(23)24)7-13(16(12)22)18-19-15-11-3-2-10(28(25,26)27)5-8(11)1-4-14(15)21/h1-7,18,22H,17H2,(H,25,26,27)