3-[2,5-bis(trichloromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one

Systemtic Name: 3-[2,5-bis(trichloromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one Openeye Name: 3-[2,5-bis(trichloromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one CAS Name: 3-[2,5-bis(trichloromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)-4-pyranone IUPAC Name: 3-[2,5-bis(trichloromethyl)phenyl]-6-methyl-2-(4-methylsulfonylphenyl)pyran-4-one Traditional Name: 3-[2,5-bis(trichloromethyl)phenyl]-2-(4-mesylphenyl)-6-methyl-pyran-4-one Formula: C21H14Cl6O4S MolecularWeight: 575.11646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=C(C=CC(=C3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)C3=C(C=CC(=C3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C21H14Cl6O4S/c1-11-9-17(28)18(19(31-11)12-3-6-14(7-4-12)32(2,29)30)15-10-13(20(22,23)24)5-8-16(15)21(25,26)27/h3-10H,1-2H3