[(E,2R,3R)-2,3-bis(oxidanyl)octadec-4-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,2R,3R)-2,3-bis(oxidanyl)octadec-4-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,2R,3R)-2,3-dihydroxyoctadec-4-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2,3-dihydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2R,3R)-2,3-dihydroxyoctadec-4-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,2R,3R)-2,3-dihydroxyoctadec-4-enyl] ester Formula: C25H42O5S MolecularWeight: 454.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)O

InChI

InChI=1S/C25H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(26)25(27)21-30-31(28,29)23-19-17-22(2)18-20-23/h15-20,24-27H,3-14,21H2,1-2H3/b16-15+/t24-,25-/m1/s1