disodium 2-[(Z)-(3-nitro-4-oxidanidyl-phenyl)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate

Systemtic Name: disodium 2-[(Z)-(3-nitro-4-oxidanidyl-phenyl)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate Openeye Name: disodium 2-[(Z)-(3-nitro-4-oxido-phenyl)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoate CAS Name: disodium 2-[(Z)-(3-nitro-4-oxidophenyl)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoate IUPAC Name: disodium 2-[(Z)-(3-nitro-4-oxidophenyl)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate Traditional Name: disodium 2-[(Z)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)-(3-nitro-4-oxido-phenyl)methyl]benzoate Formula: C20H10N2Na2O8 MolecularWeight: 452.28154

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

Isomeric SMILES

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

InChI

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