6-[2-(3-methylbutyl)phenyl]-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-[2-(3-methylbutyl)phenyl]-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(2-isopentylphenyl)pyran-4-one CAS Name: 2-hydroxy-6-[2-(3-methylbutyl)phenyl]-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-[2-(3-methylbutyl)phenyl]pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-(2-isoamylphenyl)pyran-4-one Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=CC=C1C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1=CC=CC=C1C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C23H24O3S/c1-16(2)12-13-18-10-6-7-11-19(18)21-14-20(24)22(23(25)26-21)27-15-17-8-4-3-5-9-17/h3-11,14,16,25H,12-13,15H2,1-2H3