methyl 6-[(1R,2R)-4-oxidanylidene-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]sulfanylhexanoate

Systemtic Name: methyl 6-[(1R,2R)-4-oxidanylidene-2-[(E,3R)-3-oxidanyl-4-phenoxy-but-1-enyl]cyclopentyl]sulfanylhexanoate Openeye Name: methyl 6-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-4-oxo-cyclopentyl]sulfanylhexanoate CAS Name: 6-[[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-4-oxocyclopentyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]-4-oxocyclopentyl]sulfanylhexanoate Traditional Name: 6-[[(1R,2R)-2-[(E,3R)-3-hydroxy-4-phenoxy-but-1-enyl]-4-keto-cyclopentyl]thio]hexanoic acid methyl ester Formula: C22H30O5S MolecularWeight: 406.5356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCSC1CC(=O)CC1C=CC(COC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCCCCS[C@@H]1CC(=O)C[C@@H]1/C=C/[C@H](COC2=CC=CC=C2)O

InChI

InChI=1S/C22H30O5S/c1-26-22(25)10-6-3-7-13-28-21-15-19(24)14-17(21)11-12-18(23)16-27-20-8-4-2-5-9-20/h2,4-5,8-9,11-12,17-18,21,23H,3,6-7,10,13-16H2,1H3/b12-11+/t17-,18+,21+/m0/s1