5-nitro-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-nitro-3-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-nitro-3-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonic acid CAS Name: 2-hydroxy-5-nitro-3-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-nitro-3-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonic acid Traditional Name: 2-hydroxy-3-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-nitro-besylic acid Formula: C13H9N3O9S MolecularWeight: 383.29026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNC2=CC(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-])C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CNC2=CC(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-])C=C1[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O9S/c17-11-2-1-8(15(19)20)3-7(11)6-14-10-4-9(16(21)22)5-12(13(10)18)26(23,24)25/h1-6,14,18H,(H,23,24,25)