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

Systemtic Name: [(E,2R,3R)-1-(methoxymethoxy)-2-methylsulfonyloxy-octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1R)-2-(methoxymethoxy)-1-methylsulfonyloxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-1-(methoxymethoxy)-2-methylsulfonyloxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2R,3R)-1-(methoxymethoxy)-2-methylsulfonyloxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1R)-2-(methoxymethoxy)-1-methylsulfonyloxy-ethyl]hexadec-2-enyl] ester Formula: C28H46O7S MolecularWeight: 526.72564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(34-28(29)25-20-17-16-18-21-25)27(23-33-24-32-2)35-36(3,30)31/h16-22,26-27H,4-15,23-24H2,1-3H3/b22-19+/t26-,27-/m1/s1