phenyl cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: phenyl cyclohexa-1,5-diene-1-sulfonate Openeye Name: phenyl cyclohexa-1,5-diene-1-sulfonate CAS Name: 1-cyclohexa-1,5-dienesulfonic acid phenyl ester IUPAC Name: phenyl cyclohexa-1,5-diene-1-sulfonate Traditional Name: cyclohexa-1,5-diene-1-sulfonic acid phenyl ester Formula: C12H12O3S MolecularWeight: 236.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H12O3S/c13-16(14,12-9-5-2-6-10-12)15-11-7-3-1-4-8-11/h1,3-5,7-10H,2,6H2