3-[4-[2,6-bis(chloranyl)phenyl]sulfanyl-3-methyl-butyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[4-[2,6-bis(chloranyl)phenyl]sulfanyl-3-methyl-butyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[4-(2,6-dichlorophenyl)sulfanyl-3-methyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[4-[(2,6-dichlorophenyl)thio]-3-methylbutyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[4-(2,6-dichlorophenyl)sulfanyl-3-methylbutyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[4-[(2,6-dichlorophenyl)thio]-3-methyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C22H20Cl2O3S MolecularWeight: 435.3634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(OC(=CC1=O)C2=CC=CC=C2)O)CSC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC(CCC1=C(OC(=CC1=O)C2=CC=CC=C2)O)CSC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H20Cl2O3S/c1-14(13-28-21-17(23)8-5-9-18(21)24)10-11-16-19(25)12-20(27-22(16)26)15-6-3-2-4-7-15/h2-9,12,14,26H,10-11,13H2,1H3