2-(3,6-dioctyl-2-oxidanylidene-1,4-oxathian-3-yl)ethanoic acid

Systemtic Name: 2-(3,6-dioctyl-2-oxidanylidene-1,4-oxathian-3-yl)ethanoic acid Openeye Name: 2-(3,6-dioctyl-2-oxo-1,4-oxathian-3-yl)acetic acid CAS Name: 2-(3,6-dioctyl-2-oxo-1,4-oxathian-3-yl)acetic acid IUPAC Name: 2-(3,6-dioctyl-2-oxo-1,4-oxathian-3-yl)acetic acid Traditional Name: 2-(2-keto-3,6-dioctyl-1,4-oxathian-3-yl)acetic acid Formula: C22H40O4S MolecularWeight: 400.6156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CSC(C(=O)O1)(CCCCCCCC)CC(=O)O

Isomeric SMILES

CCCCCCCCC1CSC(C(=O)O1)(CCCCCCCC)CC(=O)O

InChI

InChI=1S/C22H40O4S/c1-3-5-7-9-11-13-15-19-18-27-22(17-20(23)24,21(25)26-19)16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,23,24)