(2,2-dimethyl-3-phenyl-propyl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-phenyl-propyl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2,2-dimethyl-3-phenyl-propyl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2,2-dimethyl-3-phenylpropyl) ester IUPAC Name: (2,2-dimethyl-3-phenylpropyl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2,2-dimethyl-3-phenyl-propyl) ester Formula: C20H26O3S MolecularWeight: 346.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(C)(C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(C)(C)CC2=CC=CC=C2)C

InChI

InChI=1S/C20H26O3S/c1-15-11-16(2)19(17(3)12-15)24(21,22)23-14-20(4,5)13-18-9-7-6-8-10-18/h6-12H,13-14H2,1-5H3