6-oxidanyl-2,2-dipentyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 6-oxidanyl-2,2-dipentyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2,2-dipentyl-3H-pyran-4-one CAS Name: 6-hydroxy-2,2-dipentyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2,2-dipentyl-3H-pyran-4-one Traditional Name: 2,2-diamyl-5-(benzylthio)-6-hydroxy-3H-pyran-4-one Formula: C22H32O3S MolecularWeight: 376.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SCC2=CC=CC=C2)CCCCC

InChI

InChI=1S/C22H32O3S/c1-3-5-10-14-22(15-11-6-4-2)16-19(23)20(21(24)25-22)26-17-18-12-8-7-9-13-18/h7-9,12-13,24H,3-6,10-11,14-17H2,1-2H3