[(2S,4R)-2,4-bis(oxidanyl)heptadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-2,4-bis(oxidanyl)heptadecyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-2,4-dihydroxyheptadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxyheptadecyl] ester IUPAC Name: [(2S,4R)-2,4-dihydroxyheptadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-2,4-dihydroxyheptadecyl] ester Formula: C24H42O5S MolecularWeight: 442.65228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(25)19-23(26)20-29-30(27,28)24-17-15-21(2)16-18-24/h15-18,22-23,25-26H,3-14,19-20H2,1-2H3/t22-,23+/m1/s1