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

Systemtic Name: 2-[(2R,3R,4S)-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2R,3R,4S)-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2R,3R,4S)-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid IUPAC Name: 2-[(2R,3R,4S)-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetic acid Traditional Name: 2-[(2R,3R,4S)-5-keto-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid Formula: C20H28O4S MolecularWeight: 364.49892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O4S/c1-2-3-4-5-6-10-13-17-16(14-18(21)22)19(20(23)24-17)25-15-11-8-7-9-12-15/h7-9,11-12,16-17,19H,2-6,10,13-14H2,1H3,(H,21,22)/t16-,17-,19+/m1/s1