[(2S,3S)-2,3-bis(oxidanyl)tetradecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-2,3-bis(oxidanyl)tetradecyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2,3-dihydroxytetradecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2,3-dihydroxytetradecyl] ester IUPAC Name: [(2S,3S)-2,3-dihydroxytetradecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2,3-dihydroxytetradecyl] ester Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O5S/c1-3-4-5-6-7-8-9-10-11-12-20(22)21(23)17-26-27(24,25)19-15-13-18(2)14-16-19/h13-16,20-23H,3-12,17H2,1-2H3/t20-,21-/m0/s1