5-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylbutyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-2-(3-methylbutyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-6-hydroxy-2-isopentyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[(2-chlorophenyl)methylthio]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-[(2-chlorobenzyl)thio]-6-hydroxy-2-isoamyl-2-phenyl-3H-pyran-4-one Formula: C23H25ClO3S MolecularWeight: 416.9608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H25ClO3S/c1-16(2)12-13-23(18-9-4-3-5-10-18)14-20(25)21(22(26)27-23)28-15-17-8-6-7-11-19(17)24/h3-11,16,26H,12-15H2,1-2H3