sodium 5-[(Z)-[(4-nitrophenyl)-oxidanidyl-azaniumylidene]amino]-5-oxidanyl-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium 5-[(Z)-[(4-nitrophenyl)-oxidanidyl-azaniumylidene]amino]-5-oxidanyl-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-hydroxy-5-[(Z)-[(4-nitrophenyl)-oxido-iminio]amino]-6-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-hydroxy-5-[(Z)-[(4-nitrophenyl)-oxidoiminio]amino]-6-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-hydroxy-5-[(Z)-[(4-nitrophenyl)-oxidoazaniumylidene]amino]-6-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-hydroxy-6-keto-5-[(Z)-[(4-nitrophenyl)-oxido-iminio]amino]naphthalene-2-sulfonate Formula: C16H10N3NaO8S MolecularWeight: 427.32067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=NC2(C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1/[N+](=N/C2(C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-])O)/[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C16H11N3O8S.Na/c20-15-8-1-10-9-13(28(25,26)27)6-7-14(10)16(15,21)17-18(22)11-2-4-12(5-3-11)19(23)24;/h1-9,21H,(H,25,26,27);/q;+1/p-1/b18-17-;