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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCCC1(CC(=O)C(=C(O1)O)SCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30O3S/c1-19(2)10-9-16-25(21-13-7-4-8-14-21)18-22(26)23(24(27)28-25)29-17-15-20-11-5-3-6-12-20/h3-8,11-14,19,27H,9-10,15-18H2,1-2H3