[(2R)-3-hexadecoxy-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-hexadecoxy-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-hexadecoxy-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-3-hexadecoxy-2-hydroxypropyl] ester IUPAC Name: [(2R)-3-hexadecoxy-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-cetyloxy-2-hydroxy-propyl] ester Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-22-25(27)23-31-32(28,29)26-19-17-24(2)18-20-26/h17-20,25,27H,3-16,21-23H2,1-2H3/t25-/m1/s1