(phenylmethyl) 6-[3-(oxan-2-yloxy)-5-oxidanylidene-cyclopenten-1-yl]sulfanylhexanoate

Systemtic Name: (phenylmethyl) 6-[3-(oxan-2-yloxy)-5-oxidanylidene-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: benzyl 6-(5-oxo-3-tetrahydropyran-2-yloxy-cyclopenten-1-yl)sulfanylhexanoate CAS Name: 6-[[3-(2-oxanyloxy)-5-oxo-1-cyclopentenyl]thio]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]sulfanylhexanoate Traditional Name: 6-[(5-keto-3-tetrahydropyran-2-yloxy-cyclopenten-1-yl)thio]hexanoic acid benzyl ester Formula: C23H30O5S MolecularWeight: 418.5463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CC(=O)C(=C2)SCCCCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OC2CC(=O)C(=C2)SCCCCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30O5S/c24-20-15-19(28-23-12-6-7-13-26-23)16-21(20)29-14-8-2-5-11-22(25)27-17-18-9-3-1-4-10-18/h1,3-4,9-10,16,19,23H,2,5-8,11-15,17H2