(1-decoxy-3-oxidanyl-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-decoxy-3-oxidanyl-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(decoxymethyl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-decoxy-3-hydroxypropan-2-yl) ester IUPAC Name: (1-decoxy-3-hydroxypropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(decoxymethyl)-2-hydroxy-ethyl] ester Formula: C20H34O5S MolecularWeight: 386.54596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCOCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C20H34O5S/c1-3-4-5-6-7-8-9-10-15-24-17-19(16-21)25-26(22,23)20-13-11-18(2)12-14-20/h11-14,19,21H,3-10,15-17H2,1-2H3