(3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-phenyl-1-cyclohept-3-enyl) ester IUPAC Name: (3-phenylcyclohept-3-en-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-phenylcyclohept-3-en-1-yl) ester Formula: C20H22O3S MolecularWeight: 342.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC=C(C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC=C(C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22O3S/c1-16-11-13-20(14-12-16)24(21,22)23-19-10-6-5-9-18(15-19)17-7-3-2-4-8-17/h2-4,7-9,11-14,19H,5-6,10,15H2,1H3