[1-[(E)-octadec-9-enoxy]-3-oxidanyl-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-[(E)-octadec-9-enoxy]-3-oxidanyl-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(hydroxymethyl)-2-[(E)-octadec-9-enoxy]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-hydroxy-3-[(E)-octadec-9-enoxy]propan-2-yl] ester IUPAC Name: [1-hydroxy-3-[(E)-octadec-9-enoxy]propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-methylol-2-[(E)-octadec-9-enoxy]ethyl] ester Formula: C28H48O5S MolecularWeight: 496.74272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(CO)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C28H48O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-25-27(24-29)33-34(30,31)28-21-19-26(2)20-22-28/h10-11,19-22,27,29H,3-9,12-18,23-25H2,1-2H3/b11-10+