(2R,3S,4R)-4-methyl-5-oxidanylidene-4-(phenylsulfinyl)-2-tridecyl-oxolane-3-carboxylic acid

Systemtic Name: (2R,3S,4R)-4-methyl-5-oxidanylidene-4-(phenylsulfinyl)-2-tridecyl-oxolane-3-carboxylic acid Openeye Name: (2R,3S,4R)-4-(benzenesulfinyl)-4-methyl-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylic acid CAS Name: (2R,3S,4R)-4-(benzenesulfinyl)-4-methyl-5-oxo-2-tridecyl-3-oxolanecarboxylic acid IUPAC Name: (2R,3S,4R)-4-(benzenesulfinyl)-4-methyl-5-oxo-2-tridecyloxolane-3-carboxylic acid Traditional Name: (2R,3S,4R)-4-(benzenesulfinyl)-5-keto-4-methyl-2-tridecyl-tetrahydrofuran-3-carboxylic acid Formula: C25H38O5S MolecularWeight: 450.63122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)(C)S(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H38O5S/c1-3-4-5-6-7-8-9-10-11-12-16-19-21-22(23(26)27)25(2,24(28)30-21)31(29)20-17-14-13-15-18-20/h13-15,17-18,21-22H,3-12,16,19H2,1-2H3,(H,26,27)/t21-,22+,25-,31?/m1/s1