butyl 6,6-dimethyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate

Systemtic Name: butyl 6,6-dimethyl-5-oxidanylidene-cyclohexa-1,3-diene-1-sulfonate Openeye Name: butyl 6,6-dimethyl-5-oxo-cyclohexa-1,3-diene-1-sulfonate CAS Name: 6,6-dimethyl-5-oxo-1-cyclohexa-1,3-dienesulfonic acid butyl ester IUPAC Name: butyl 6,6-dimethyl-5-oxocyclohexa-1,3-diene-1-sulfonate Traditional Name: 5-keto-6,6-dimethyl-cyclohexa-1,3-diene-1-sulfonic acid butyl ester Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOS(=O)(=O)C1=CC=CC(=O)C1(C)C

Isomeric SMILES

CCCCOS(=O)(=O)C1=CC=CC(=O)C1(C)C

InChI

InChI=1S/C12H18O4S/c1-4-5-9-16-17(14,15)11-8-6-7-10(13)12(11,2)3/h6-8H,4-5,9H2,1-3H3