3-(1-cyclopentylsulfanyl-3-methyl-butyl)-2-oxidanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-4-one

Systemtic Name: 3-(1-cyclopentylsulfanyl-3-methyl-butyl)-2-oxidanyl-6-[1-(phenylmethyl)cyclopentyl]pyran-4-one Openeye Name: 6-(1-benzylcyclopentyl)-3-(1-cyclopentylsulfanyl-3-methyl-butyl)-2-hydroxy-pyran-4-one CAS Name: 3-[1-(cyclopentylthio)-3-methylbutyl]-2-hydroxy-6-[1-(phenylmethyl)cyclopentyl]-4-pyranone IUPAC Name: 6-(1-benzylcyclopentyl)-3-(1-cyclopentylsulfanyl-3-methylbutyl)-2-hydroxypyran-4-one Traditional Name: 6-(1-benzylcyclopentyl)-3-[1-(cyclopentylthio)-3-methyl-butyl]-2-hydroxy-pyran-4-one Formula: C27H36O3S MolecularWeight: 440.63794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(OC(=CC1=O)C2(CCCC2)CC3=CC=CC=C3)O)SC4CCCC4

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2(CCCC2)CC3=CC=CC=C3)O)SC4CCCC4

InChI

InChI=1S/C27H36O3S/c1-19(2)16-23(31-21-12-6-7-13-21)25-22(28)17-24(30-26(25)29)27(14-8-9-15-27)18-20-10-4-3-5-11-20/h3-5,10-11,17,19,21,23,29H,6-9,12-16,18H2,1-2H3