[(2R,3R)-2,3-bis(oxidanyl)pentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R,3R)-2,3-bis(oxidanyl)pentadecyl] 4-methylbenzenesulfonate Openeye Name: [(2R,3R)-2,3-dihydroxypentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R,3R)-2,3-dihydroxypentadecyl] ester IUPAC Name: [(2R,3R)-2,3-dihydroxypentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R,3R)-2,3-dihydroxypentadecyl] ester Formula: C22H38O5S MolecularWeight: 414.59912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O5S/c1-3-4-5-6-7-8-9-10-11-12-13-21(23)22(24)18-27-28(25,26)20-16-14-19(2)15-17-20/h14-17,21-24H,3-13,18H2,1-2H3/t21-,22-/m1/s1