(phenylmethyl) 3-methylbenzenesulfonate

Systemtic Name: (phenylmethyl) 3-methylbenzenesulfonate Openeye Name: benzyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid benzyl ester Formula: C14H14O3S MolecularWeight: 262.32416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14O3S/c1-12-6-5-9-14(10-12)18(15,16)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3