5-[2,6-bis(chloranyl)phenyl]sulfanyl-3-(3-methylbutyl)-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]sulfanyl-3-(3-methylbutyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 5-(2,6-dichlorophenyl)sulfanyl-2-hydroxy-3-isopentyl-6-phenyl-pyran-4-one CAS Name: 5-[(2,6-dichlorophenyl)thio]-2-hydroxy-3-(3-methylbutyl)-6-phenyl-4-pyranone IUPAC Name: 5-(2,6-dichlorophenyl)sulfanyl-2-hydroxy-3-(3-methylbutyl)-6-phenylpyran-4-one Traditional Name: 5-[(2,6-dichlorophenyl)thio]-2-hydroxy-3-isoamyl-6-phenyl-pyran-4-one Formula: C22H20Cl2O3S MolecularWeight: 435.3634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(OC(=C(C1=O)SC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCC1=C(OC(=C(C1=O)SC2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3)O

InChI

InChI=1S/C22H20Cl2O3S/c1-13(2)11-12-15-18(25)21(28-20-16(23)9-6-10-17(20)24)19(27-22(15)26)14-7-4-3-5-8-14/h3-10,13,26H,11-12H2,1-2H3