[(E,2R,3R)-2-methylsulfonyloxy-1-oxidanyl-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E,2R,3R)-2-methylsulfonyloxy-1-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1R)-2-hydroxy-1-methylsulfonyloxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-1-hydroxy-2-methylsulfonyloxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2R,3R)-1-hydroxy-2-methylsulfonyloxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1R)-2-hydroxy-1-methylsulfonyloxy-ethyl]hexadec-2-enyl] ester Formula: C26H42O6S MolecularWeight: 482.67308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)OS(=O)(=O)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CO)OS(=O)(=O)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H42O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(25(22-27)32-33(2,29)30)31-26(28)23-19-16-15-17-20-23/h15-21,24-25,27H,3-14,22H2,1-2H3/b21-18+/t24-,25-/m1/s1