[2-(hydroxymethyl)-5-phenylmethoxy-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-5-phenylmethoxy-pentyl] 4-methylbenzenesulfonate Openeye Name: [5-benzyloxy-2-(hydroxymethyl)pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-5-phenylmethoxypentyl] ester IUPAC Name: [2-(hydroxymethyl)-5-phenylmethoxypentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-benzoxy-2-methylol-pentyl) ester Formula: C20H26O5S MolecularWeight: 378.48244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCOCC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCOCC2=CC=CC=C2)CO

InChI

InChI=1S/C20H26O5S/c1-17-9-11-20(12-10-17)26(22,23)25-16-19(14-21)8-5-13-24-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19,21H,5,8,13-16H2,1H3