3-[3-methyl-1-(phenylmethylsulfanyl)butyl]-2-oxidanyl-6-phenyl-pyran-4-one

Systemtic Name: 3-[3-methyl-1-(phenylmethylsulfanyl)butyl]-2-oxidanyl-6-phenyl-pyran-4-one Openeye Name: 3-(1-benzylsulfanyl-3-methyl-butyl)-2-hydroxy-6-phenyl-pyran-4-one CAS Name: 2-hydroxy-3-[3-methyl-1-(phenylmethylthio)butyl]-6-phenyl-4-pyranone IUPAC Name: 3-(1-benzylsulfanyl-3-methylbutyl)-2-hydroxy-6-phenylpyran-4-one Traditional Name: 3-[1-(benzylthio)-3-methyl-butyl]-2-hydroxy-6-phenyl-pyran-4-one Formula: C23H24O3S MolecularWeight: 380.49986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2=CC=CC=C2)O)SCC3=CC=CC=C3

InChI

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