ethyl 4-methylbenzenesulfonate

Systemtic Name: ethyl 4-methylbenzenesulfonate Openeye Name: ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid ethyl ester IUPAC Name: ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid ethyl ester Formula: C9H12O3S MolecularWeight: 200.25478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3