3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(2,6,6-trimethyl-1-cyclohex-2-enyl)propyl ester IUPAC Name: 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(2,6,6-trimethylcyclohex-2-en-1-yl)propyl ester Formula: C19H28O3S MolecularWeight: 336.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1CCCOS(=O)(=O)C2=CC=C(C=C2)C)(C)C

Isomeric SMILES

CC1=CCCC(C1CCCOS(=O)(=O)C2=CC=C(C=C2)C)(C)C

InChI

InChI=1S/C19H28O3S/c1-15-9-11-17(12-10-15)23(20,21)22-14-6-8-18-16(2)7-5-13-19(18,3)4/h7,9-12,18H,5-6,8,13-14H2,1-4H3