[(7R,8R)-2-methyl-8-oxidanyl-octadecan-7-yl] 4-methylbenzenesulfonate

Systemtic Name: [(7R,8R)-2-methyl-8-oxidanyl-octadecan-7-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-2-hydroxy-1-(5-methylhexyl)dodecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(7R,8R)-8-hydroxy-2-methyloctadecan-7-yl] ester IUPAC Name: [(7R,8R)-8-hydroxy-2-methyloctadecan-7-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-hydroxy-1-(5-methylhexyl)dodecyl] ester Formula: C26H46O4S MolecularWeight: 454.70604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(CCCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCCCCCC[C@H]([C@@H](CCCCC(C)C)OS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C26H46O4S/c1-5-6-7-8-9-10-11-12-16-25(27)26(17-14-13-15-22(2)3)30-31(28,29)24-20-18-23(4)19-21-24/h18-22,25-27H,5-17H2,1-4H3/t25-,26-/m1/s1