[2-(hydroxymethyl)-7-phenylmethoxy-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-7-phenylmethoxy-heptyl] 4-methylbenzenesulfonate Openeye Name: [7-benzyloxy-2-(hydroxymethyl)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-7-phenylmethoxyheptyl] ester IUPAC Name: [2-(hydroxymethyl)-7-phenylmethoxyheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-benzoxy-2-methylol-heptyl) ester Formula: C22H30O5S MolecularWeight: 406.5356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCOCC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCOCC2=CC=CC=C2)CO

InChI

InChI=1S/C22H30O5S/c1-19-11-13-22(14-12-19)28(24,25)27-18-21(16-23)10-6-3-7-15-26-17-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,21,23H,3,6-7,10,15-18H2,1H3