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

Systemtic Name: 2-(3-methylbutyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-isopentyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-(3-methylbutyl)-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-isoamyl-2-phenyl-3H-pyran-4-one Formula: C23H26O3S MolecularWeight: 382.51574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26O3S/c1-17(2)13-14-23(19-11-7-4-8-12-19)15-20(24)21(22(25)26-23)27-16-18-9-5-3-6-10-18/h3-12,17,25H,13-16H2,1-2H3