[2-(3-methylphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(m-tolyl)-2-tetrahydropyran-2-yloxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-methylphenyl)-2-(2-oxanyloxy)ethyl] ester IUPAC Name: [2-(3-methylphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(m-tolyl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC(=C2)C)OC3CCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC(=C2)C)OC3CCCCO3

InChI

InChI=1S/C21H26O5S/c1-16-9-11-19(12-10-16)27(22,23)25-15-20(18-7-5-6-17(2)14-18)26-21-8-3-4-13-24-21/h5-7,9-12,14,20-21H,3-4,8,13,15H2,1-2H3