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

Systemtic Name: phenyl 6-[3-(oxan-2-yloxy)-5-oxidanylidene-cyclopenten-1-yl]sulfanylhexanoate Openeye Name: phenyl 6-(5-oxo-3-tetrahydropyran-2-yloxy-cyclopenten-1-yl)sulfanylhexanoate CAS Name: 6-[[3-(2-oxanyloxy)-5-oxo-1-cyclopentenyl]thio]hexanoic acid phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CC(=O)C(=C2)SCCCCCC(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCOC(C1)OC2CC(=O)C(=C2)SCCCCCC(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H28O5S/c23-19-15-18(27-22-12-6-7-13-25-22)16-20(19)28-14-8-2-5-11-21(24)26-17-9-3-1-4-10-17/h1,3-4,9-10,16,18,22H,2,5-8,11-15H2