3,3-dimethyl-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-2H-pyran-6-one

Systemtic Name: 3,3-dimethyl-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-2H-pyran-6-one Openeye Name: 3,3-dimethyl-4-(4-methylsulfonylphenyl)-5-(m-tolyl)-2H-pyran-6-one CAS Name: 3,3-dimethyl-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-2H-pyran-6-one IUPAC Name: 3,3-dimethyl-5-(3-methylphenyl)-4-(4-methylsulfonylphenyl)-2H-pyran-6-one Traditional Name: 4-(4-mesylphenyl)-3,3-dimethyl-5-(m-tolyl)-2H-pyran-6-one Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(COC2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(COC2=O)(C)C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H22O4S/c1-14-6-5-7-16(12-14)18-19(21(2,3)13-25-20(18)22)15-8-10-17(11-9-15)26(4,23)24/h5-12H,13H2,1-4H3