4-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]benzenesulfonic acid Openeye Name: 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzenesulfonic acid CAS Name: 4-(3,6-dioxo-1-cyclohexa-1,4-dienyl)benzenesulfonic acid IUPAC Name: 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)benzenesulfonic acid Traditional Name: 4-(3,6-diketocyclohexa-1,4-dien-1-yl)besylic acid Formula: C12H8O5S MolecularWeight: 264.25392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)C=CC2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)C=CC2=O)S(=O)(=O)O

InChI

InChI=1S/C12H8O5S/c13-9-3-6-12(14)11(7-9)8-1-4-10(5-2-8)18(15,16)17/h1-7H,(H,15,16,17)