3-[cyclopentyl(2-methylpropylsulfanyl)methyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[cyclopentyl(2-methylpropylsulfanyl)methyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-[cyclopentyl(isobutylsulfanyl)methyl]-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 3-[cyclopentyl-(2-methylpropylthio)methyl]-2-hydroxy-6-phenyl-4-pyranone IUPAC Name: 3-[cyclopentyl(2-methylpropylsulfanyl)methyl]-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[cyclopentyl-(isobutylthio)methyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC(C1CCCC1)C2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CSC(C1CCCC1)C2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H26O3S/c1-14(2)13-25-20(16-10-6-7-11-16)19-17(22)12-18(24-21(19)23)15-8-4-3-5-9-15/h3-5,8-9,12,14,16,20,23H,6-7,10-11,13H2,1-2H3