5-(1-cyclohexylsulfanyl-5-methyl-hexyl)-2-(3-methylbutyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-(1-cyclohexylsulfanyl-5-methyl-hexyl)-2-(3-methylbutyl)-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-(1-cyclohexylsulfanyl-5-methyl-hexyl)-6-hydroxy-2-isopentyl-2-phenyl-3H-pyran-4-one CAS Name: 5-[1-(cyclohexylthio)-5-methylhexyl]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one IUPAC Name: 5-(1-cyclohexylsulfanyl-5-methylhexyl)-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-[1-(cyclohexylthio)-5-methyl-hexyl]-6-hydroxy-2-isoamyl-2-phenyl-3H-pyran-4-one Formula: C29H44O3S MolecularWeight: 472.72286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C1=C(OC(CC1=O)(CCC(C)C)C2=CC=CC=C2)O)SC3CCCCC3

Isomeric SMILES

CC(C)CCCC(C1=C(OC(CC1=O)(CCC(C)C)C2=CC=CC=C2)O)SC3CCCCC3

InChI

InChI=1S/C29H44O3S/c1-21(2)12-11-17-26(33-24-15-9-6-10-16-24)27-25(30)20-29(32-28(27)31,19-18-22(3)4)23-13-7-5-8-14-23/h5,7-8,13-14,21-22,24,26,31H,6,9-12,15-20H2,1-4H3