(3aR,7S,7aR)-7a-methylsulfanyl-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one

Systemtic Name: (3aR,7S,7aR)-7a-methylsulfanyl-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Openeye Name: (3aR,7S,7aR)-7a-methylsulfanyl-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one CAS Name: (3aR,7S,7aR)-7a-(methylthio)-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one IUPAC Name: (3aR,7S,7aR)-7a-methylsulfanyl-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one Traditional Name: (3aR,7S,7aR)-7a-(methylthio)-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one Formula: C15H18O2S MolecularWeight: 262.36722

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Descriptors Computed from Structure

Canonical SMILES:

CSC12C(CCCC1C3=CC=CC=C3)COC2=O

Isomeric SMILES

CS[C@@]12[C@H](CCC[C@H]1C3=CC=CC=C3)COC2=O

InChI

InChI=1S/C15H18O2S/c1-18-15-12(10-17-14(15)16)8-5-9-13(15)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+,15+/m1/s1