[(2S)-2-oxidanyltridecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-oxidanyltridecyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-hydroxytridecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxytridecyl] ester IUPAC Name: [(2S)-2-hydroxytridecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-hydroxytridecyl] ester Formula: C20H34O4S MolecularWeight: 370.54656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O4S/c1-3-4-5-6-7-8-9-10-11-12-19(21)17-24-25(22,23)20-15-13-18(2)14-16-20/h13-16,19,21H,3-12,17H2,1-2H3/t19-/m0/s1