cycloheptyl 4-methylbenzenesulfonate

Systemtic Name: cycloheptyl 4-methylbenzenesulfonate Openeye Name: cycloheptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid cycloheptyl ester IUPAC Name: cycloheptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid cycloheptyl ester Formula: C14H20O3S MolecularWeight: 268.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2

InChI

InChI=1S/C14H20O3S/c1-12-8-10-14(11-9-12)18(15,16)17-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3