5-oxidanyl-7a-(phenylmethylsulfanyl)-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one

Systemtic Name: 5-oxidanyl-7a-(phenylmethylsulfanyl)-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one Openeye Name: 7a-benzylsulfanyl-5-hydroxy-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one CAS Name: 5-hydroxy-7a-(phenylmethylthio)-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one IUPAC Name: 7a-benzylsulfanyl-5-hydroxy-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one Traditional Name: 7a-(benzylthio)-5-hydroxy-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-7-one Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC2(C1C(CC2=O)O)SCC3=CC=CC=C3

Isomeric SMILES

C1COCC2(C1C(CC2=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C15H18O3S/c16-13-8-14(17)15(10-18-7-6-12(13)15)19-9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2