[2-methyl-2-(2-methylphenyl)propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-2-(2-methylphenyl)propyl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-2-(o-tolyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-2-(2-methylphenyl)propyl] ester IUPAC Name: [2-methyl-2-(2-methylphenyl)propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methyl-2-(o-tolyl)propyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C2=CC=CC=C2C

InChI

InChI=1S/C18H22O3S/c1-14-9-11-16(12-10-14)22(19,20)21-13-18(3,4)17-8-6-5-7-15(17)2/h5-12H,13H2,1-4H3