2-(4-methylpentyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-(4-methylpentyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-isohexyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-(4-methylpentyl)-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(4-methylpentyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-isohexyl-2-phenyl-3H-pyran-4-one Formula: C24H28O3S MolecularWeight: 396.54232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28O3S/c1-18(2)10-9-15-24(20-13-7-4-8-14-20)16-21(25)22(23(26)27-24)28-17-19-11-5-3-6-12-19/h3-8,11-14,18,26H,9-10,15-17H2,1-2H3