(phenylmethyl) (9S,10R)-9,10-bis(methylsulfonyloxy)octadecanoate

Systemtic Name: (phenylmethyl) (9S,10R)-9,10-bis(methylsulfonyloxy)octadecanoate Openeye Name: benzyl (9S,10R)-9,10-bis(methylsulfonyloxy)octadecanoate CAS Name: (9S,10R)-9,10-bis(methylsulfonyloxy)octadecanoic acid (phenylmethyl) ester IUPAC Name: benzyl (9S,10R)-9,10-bis(methylsulfonyloxy)octadecanoate Traditional Name: (9S,10R)-9,10-bis(methylsulfonyloxy)stearic acid benzyl ester Formula: C27H46O8S2 MolecularWeight: 562.77934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C27H46O8S2/c1-4-5-6-7-9-15-20-25(34-36(2,29)30)26(35-37(3,31)32)21-16-10-8-11-17-22-27(28)33-23-24-18-13-12-14-19-24/h12-14,18-19,25-26H,4-11,15-17,20-23H2,1-3H3/t25-,26+/m1/s1