4-[2-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]benzenesulfonic acid CAS Name: 4-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]benzenesulfonic acid IUPAC Name: 4-[2-[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]besylic acid Formula: C13H11N3O6S MolecularWeight: 337.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NNC=C2C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NN/C=C/2\C=C(C=CC2=O)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H11N3O6S/c17-13-6-3-11(16(18)19)7-9(13)8-14-15-10-1-4-12(5-2-10)23(20,21)22/h1-8,14-15H,(H,20,21,22)/b9-8+