(2S,3R)-2-(15-methoxy-15-oxidanylidene-pentadecyl)-4-methylidene-5-oxidanylidene-oxolane-3-carboxylic acid

Systemtic Name: (2S,3R)-2-(15-methoxy-15-oxidanylidene-pentadecyl)-4-methylidene-5-oxidanylidene-oxolane-3-carboxylic acid Openeye Name: (2S,3R)-2-(15-methoxy-15-oxo-pentadecyl)-4-methylene-5-oxo-tetrahydrofuran-3-carboxylic acid CAS Name: (2S,3R)-2-(15-methoxy-15-oxopentadecyl)-4-methylene-5-oxo-3-oxolanecarboxylic acid IUPAC Name: (2S,3R)-2-(15-methoxy-15-oxopentadecyl)-4-methylidene-5-oxooxolane-3-carboxylic acid Traditional Name: (2S,3R)-5-keto-2-(15-keto-15-methoxy-pentadecyl)-4-methylene-tetrahydrofuran-3-carboxylic acid Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O

InChI

InChI=1S/C22H36O6/c1-17-20(21(24)25)18(28-22(17)26)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)27-2/h18,20H,1,3-16H2,2H3,(H,24,25)/t18-,20+/m0/s1