(2S,3R)-5-oxidanylidene-2-pentyl-4-(phenylsulfanylmethyl)oxolane-3-carboxylic acid

Systemtic Name: (2S,3R)-5-oxidanylidene-2-pentyl-4-(phenylsulfanylmethyl)oxolane-3-carboxylic acid Openeye Name: (2S,3R)-5-oxo-2-pentyl-4-(phenylsulfanylmethyl)tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3R)-5-oxo-2-pentyl-4-[(phenylthio)methyl]-3-oxolanecarboxylic acid IUPAC Name: (2S,3R)-5-oxo-2-pentyl-4-(phenylsulfanylmethyl)oxolane-3-carboxylic acid Traditional Name: (2S,3R)-2-amyl-5-keto-4-[(phenylthio)methyl]tetrahydrofuran-3-carboxylic acid Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(C(=O)O1)CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC[C@H]1[C@@H](C(C(=O)O1)CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H22O4S/c1-2-3-5-10-14-15(16(18)19)13(17(20)21-14)11-22-12-8-6-4-7-9-12/h4,6-9,13-15H,2-3,5,10-11H2,1H3,(H,18,19)/t13?,14-,15+/m0/s1