2-[(2R,3R,4R)-4-chloranyl-4-methoxycarbonyl-2-octyl-5-oxidanylidene-oxolan-3-yl]ethanoic acid

Systemtic Name: 2-[(2R,3R,4R)-4-chloranyl-4-methoxycarbonyl-2-octyl-5-oxidanylidene-oxolan-3-yl]ethanoic acid Openeye Name: 2-[(2R,3R,4R)-4-chloro-4-methoxycarbonyl-2-octyl-5-oxo-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[(2R,3R,4R)-4-chloro-4-methoxycarbonyl-2-octyl-5-oxo-3-oxolanyl]acetic acid IUPAC Name: 2-[(2R,3R,4R)-4-chloro-4-methoxycarbonyl-2-octyl-5-oxooxolan-3-yl]acetic acid Traditional Name: 2-[(2R,3R,4R)-4-carbomethoxy-4-chloro-5-keto-2-octyl-tetrahydrofuran-3-yl]acetic acid Formula: C16H25ClO6 MolecularWeight: 348.8191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(=O)O1)(C(=O)OC)Cl)CC(=O)O

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H]([C@](C(=O)O1)(C(=O)OC)Cl)CC(=O)O

InChI

InChI=1S/C16H25ClO6/c1-3-4-5-6-7-8-9-12-11(10-13(18)19)16(17,14(20)22-2)15(21)23-12/h11-12H,3-10H2,1-2H3,(H,18,19)/t11-,12-,16-/m1/s1