(2R)-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]-2-oxidanyl-ethanoic acid

Systemtic Name: (2R)-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]-2-oxidanyl-ethanoic acid Openeye Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetic acid CAS Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid IUPAC Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetic acid Traditional Name: (2R)-2-hydroxy-2-[(2S,3S,4S)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(=O)O1)(C)SC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

CCCCCCCC[C@H]1[C@@H]([C@](C(=O)O1)(C)SC2=CC=CC=C2)[C@H](C(=O)O)O

InChI

InChI=1S/C21H30O5S/c1-3-4-5-6-7-11-14-16-17(18(22)19(23)24)21(2,20(25)26-16)27-15-12-9-8-10-13-15/h8-10,12-13,16-18,22H,3-7,11,14H2,1-2H3,(H,23,24)/t16-,17+,18+,21-/m0/s1