(2,4,6-trimethylphenyl) 2-phenylethanesulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 2-phenylethanesulfonate Openeye Name: (2,4,6-trimethylphenyl) 2-phenylethanesulfonate CAS Name: 2-phenylethanesulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 2-phenylethanesulfonate Traditional Name: 2-phenylethanesulfonic acid mesityl ester Formula: C17H20O3S MolecularWeight: 304.4039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O3S/c1-13-11-14(2)17(15(3)12-13)20-21(18,19)10-9-16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3