8-methyl-1-(4-methylsulfanylphenyl)-3a-oxidanyl-4,5-dihydrobenzo[e][1]benzofuran-2-one

Systemtic Name: 8-methyl-1-(4-methylsulfanylphenyl)-3a-oxidanyl-4,5-dihydrobenzo[e][1]benzofuran-2-one Openeye Name: 3a-hydroxy-8-methyl-1-(4-methylsulfanylphenyl)-4,5-dihydrobenzo[e]benzofuran-2-one CAS Name: 3a-hydroxy-8-methyl-1-[4-(methylthio)phenyl]-4,5-dihydrobenzo[e]benzofuran-2-one IUPAC Name: 3a-hydroxy-8-methyl-1-(4-methylsulfanylphenyl)-4,5-dihydrobenzo[e][1]benzofuran-2-one Traditional Name: 3a-hydroxy-8-methyl-1-[4-(methylthio)phenyl]-4,5-dihydrobenzo[e]benzofuran-2-one Formula: C20H18O3S MolecularWeight: 338.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCC3(C2=C(C(=O)O3)C4=CC=C(C=C4)SC)O)C=C1

Isomeric SMILES

CC1=CC2=C(CCC3(C2=C(C(=O)O3)C4=CC=C(C=C4)SC)O)C=C1

InChI

InChI=1S/C20H18O3S/c1-12-3-4-13-9-10-20(22)18(16(13)11-12)17(19(21)23-20)14-5-7-15(24-2)8-6-14/h3-8,11,22H,9-10H2,1-2H3