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

Systemtic Name: 5-(cyclohexylmethylsulfanyl)-3-(3-methylbutyl)-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 5-(cyclohexylmethylsulfanyl)-2-hydroxy-3-isopentyl-6-phenyl-pyran-4-one CAS Name: 5-(cyclohexylmethylthio)-2-hydroxy-3-(3-methylbutyl)-6-phenyl-4-pyranone IUPAC Name: 5-(cyclohexylmethylsulfanyl)-2-hydroxy-3-(3-methylbutyl)-6-phenylpyran-4-one Traditional Name: 5-(cyclohexylmethylthio)-2-hydroxy-3-isoamyl-6-phenyl-pyran-4-one Formula: C23H30O3S MolecularWeight: 386.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(OC(=C(C1=O)SCC2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCC1=C(OC(=C(C1=O)SCC2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H30O3S/c1-16(2)13-14-19-20(24)22(27-15-17-9-5-3-6-10-17)21(26-23(19)25)18-11-7-4-8-12-18/h4,7-8,11-12,16-17,25H,3,5-6,9-10,13-15H2,1-2H3