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

Systemtic Name: 2-[(2R,3R,4S)-2-methyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2R,3R,4S)-2-methyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2R,3R,4S)-2-methyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid IUPAC Name: 2-[(2R,3R,4S)-2-methyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetic acid Traditional Name: 2-[(2R,3R,4S)-5-keto-2-methyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid Formula: C13H14O4S MolecularWeight: 266.31286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=O)O1)SC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4S/c1-8-10(7-11(14)15)12(13(16)17-8)18-9-5-3-2-4-6-9/h2-6,8,10,12H,7H2,1H3,(H,14,15)/t8-,10-,12+/m1/s1