5-nitro-2-oxidanyl-3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid

Systemtic Name: 5-nitro-2-oxidanyl-3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Openeye Name: 2-hydroxy-5-nitro-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid CAS Name: 2-hydroxy-5-nitro-3-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-nitro-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonic acid Traditional Name: 2-hydroxy-3-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-5-nitro-besylic acid Formula: C13H10N2O7S MolecularWeight: 338.2927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=C/C(=C\NC2=CC(=CC(=C2O)S(=O)(=O)O)[N+](=O)[O-])/C(=O)C=C1

InChI

InChI=1S/C13H10N2O7S/c16-11-4-2-1-3-8(11)7-14-10-5-9(15(18)19)6-12(13(10)17)23(20,21)22/h1-7,14,17H,(H,20,21,22)/b8-7+