8-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one

Systemtic Name: 8-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one Openeye Name: 8-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydro-3aH-benzo[e]benzofuran-2-one CAS Name: 8-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydro-3aH-benzo[e]benzofuran-2-one IUPAC Name: 8-methyl-1-(4-methylsulfonylphenyl)-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one Traditional Name: 1-(4-mesylphenyl)-8-methyl-4,5-dihydro-3aH-benzo[e]benzofuran-2-one Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCC3C2=C(C(=O)O3)C4=CC=C(C=C4)S(=O)(=O)C)C=C1

Isomeric SMILES

CC1=CC2=C(CCC3C2=C(C(=O)O3)C4=CC=C(C=C4)S(=O)(=O)C)C=C1

InChI

InChI=1S/C20H18O4S/c1-12-3-4-13-7-10-17-19(16(13)11-12)18(20(21)24-17)14-5-8-15(9-6-14)25(2,22)23/h3-6,8-9,11,17H,7,10H2,1-2H3