[2-(hydroxymethyl)-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-8-phenylmethoxy-octyl] 4-methylbenzenesulfonate Openeye Name: [8-benzyloxy-2-(hydroxymethyl)octyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-8-phenylmethoxyoctyl] ester IUPAC Name: [2-(hydroxymethyl)-8-phenylmethoxyoctyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (8-benzoxy-2-methylol-octyl) ester Formula: C23H32O5S MolecularWeight: 420.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCOCC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCOCC2=CC=CC=C2)CO

InChI

InChI=1S/C23H32O5S/c1-20-12-14-23(15-13-20)29(25,26)28-19-22(17-24)11-5-2-3-8-16-27-18-21-9-6-4-7-10-21/h4,6-7,9-10,12-15,22,24H,2-3,5,8,11,16-19H2,1H3