[2-(hydroxymethyl)-6-phenylmethoxy-hexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-6-phenylmethoxy-hexyl] 4-methylbenzenesulfonate Openeye Name: [6-benzyloxy-2-(hydroxymethyl)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-6-phenylmethoxyhexyl] ester IUPAC Name: [2-(hydroxymethyl)-6-phenylmethoxyhexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-benzoxy-2-methylol-hexyl) ester Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCOCC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCOCC2=CC=CC=C2)CO

InChI

InChI=1S/C21H28O5S/c1-18-10-12-21(13-11-18)27(23,24)26-17-20(15-22)9-5-6-14-25-16-19-7-3-2-4-8-19/h2-4,7-8,10-13,20,22H,5-6,9,14-17H2,1H3