4-[[(Z)-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[(Z)-(5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Openeye Name: 4-[[(Z)-(5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid CAS Name: 4-[[(Z)-(5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(Z)-(5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Traditional Name: 4-[[(Z)-(6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]besylic acid Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CNC2=CC=C(C=C2)S(=O)(=O)O)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C1=C/C(=C/NC2=CC=C(C=C2)S(=O)(=O)O)/C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O6S/c16-13-9(2-1-3-12(13)15(17)18)8-14-10-4-6-11(7-5-10)22(19,20)21/h1-8,14H,(H,19,20,21)/b9-8-