2-hexyl-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-hexyl-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Openeye Name: 2-hexyl-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one CAS Name: 2-hexyl-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one IUPAC Name: 2-hexyl-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Traditional Name: 2-hexyl-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one Formula: C25H30O3S MolecularWeight: 410.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30O3S/c1-2-3-4-11-17-25(21-14-9-6-10-15-21)19-22(26)23(24(27)28-25)29-18-16-20-12-7-5-8-13-20/h5-10,12-15,27H,2-4,11,16-19H2,1H3