sodium 2-[(Z)-(2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-nitro-4-oxidanyl-phenyl)methyl]benzoate

Systemtic Name: sodium 2-[(Z)-(2-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(2-nitro-4-oxidanyl-phenyl)methyl]benzoate Openeye Name: sodium 2-[(Z)-(4-hydroxy-2-nitro-phenyl)-(2-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate CAS Name: sodium 2-[(Z)-(4-hydroxy-2-nitrophenyl)-(2-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate IUPAC Name: sodium 2-[(Z)-(4-hydroxy-2-nitrophenyl)-(2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate Traditional Name: sodium 2-[(Z)-(4-hydroxy-2-nitro-phenyl)-(4-keto-2-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate Formula: C20H11N2NaO8 MolecularWeight: 430.29971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C2C=CC(=O)C=C2[N+](=O)[O-])C3=C(C=C(C=C3)O)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C/2\C=CC(=O)C=C2[N+](=O)[O-])/C3=C(C=C(C=C3)O)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C20H12N2O8.Na/c23-11-5-7-15(17(9-11)21(27)28)19(13-3-1-2-4-14(13)20(25)26)16-8-6-12(24)10-18(16)22(29)30;/h1-10,23H,(H,25,26);/q;+1/p-1/b19-16-;