methyl 7-[(1S,2R)-3,5-bis(oxidanyl)-2-(2-oxidanylheptylsulfanyl)cyclopentyl]heptanoate

Systemtic Name: methyl 7-[(1S,2R)-3,5-bis(oxidanyl)-2-(2-oxidanylheptylsulfanyl)cyclopentyl]heptanoate Openeye Name: methyl 7-[(1S,2R)-3,5-dihydroxy-2-(2-hydroxyheptylsulfanyl)cyclopentyl]heptanoate CAS Name: 7-[(1S,2R)-3,5-dihydroxy-2-(2-hydroxyheptylthio)cyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1S,2R)-3,5-dihydroxy-2-(2-hydroxyheptylsulfanyl)cyclopentyl]heptanoate Traditional Name: 7-[(1S,2R)-3,5-dihydroxy-2-(2-hydroxyheptylthio)cyclopentyl]enanthic acid methyl ester Formula: C20H38O5S MolecularWeight: 390.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CSC1C(CC(C1CCCCCCC(=O)OC)O)O)O

Isomeric SMILES

CCCCCC(CS[C@@H]1[C@H](C(CC1O)O)CCCCCCC(=O)OC)O

InChI

InChI=1S/C20H38O5S/c1-3-4-7-10-15(21)14-26-20-16(17(22)13-18(20)23)11-8-5-6-9-12-19(24)25-2/h15-18,20-23H,3-14H2,1-2H3/t15?,16-,17?,18?,20+/m0/s1