(2R,3R)-4-methylidene-2-octyl-5-oxidanylidene-thiolane-3-carboxylic acid

Systemtic Name: (2R,3R)-4-methylidene-2-octyl-5-oxidanylidene-thiolane-3-carboxylic acid Openeye Name: (2R,3R)-4-methylene-2-octyl-5-oxo-tetrahydrothiophene-3-carboxylic acid CAS Name: (2R,3R)-4-methylene-2-octyl-5-oxo-3-thiolanecarboxylic acid IUPAC Name: (2R,3R)-4-methylidene-2-octyl-5-oxothiolane-3-carboxylic acid Traditional Name: (2R,3R)-5-keto-4-methylene-2-octyl-tetrahydrothiophene-3-carboxylic acid Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(=C)C(=O)S1)C(=O)O

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H](C(=C)C(=O)S1)C(=O)O

InChI

InChI=1S/C14H22O3S/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1