[2-(hydroxymethyl)-9-phenylmethoxy-nonyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-9-phenylmethoxy-nonyl] 4-methylbenzenesulfonate Openeye Name: [9-benzyloxy-2-(hydroxymethyl)nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-9-phenylmethoxynonyl] ester IUPAC Name: [2-(hydroxymethyl)-9-phenylmethoxynonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (9-benzoxy-2-methylol-nonyl) ester Formula: C24H34O5S MolecularWeight: 434.58876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCCOCC2=CC=CC=C2)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCCCCCCOCC2=CC=CC=C2)CO

InChI

InChI=1S/C24H34O5S/c1-21-13-15-24(16-14-21)30(26,27)29-20-23(18-25)12-6-3-2-4-9-17-28-19-22-10-7-5-8-11-22/h5,7-8,10-11,13-16,23,25H,2-4,6,9,12,17-20H2,1H3