1-phenyl-5-(phenylmethylsulfanyl)pentane-1,3-dione

Systemtic Name: 1-phenyl-5-(phenylmethylsulfanyl)pentane-1,3-dione Openeye Name: 5-benzylsulfanyl-1-phenyl-pentane-1,3-dione CAS Name: 1-phenyl-5-(phenylmethylthio)pentane-1,3-dione IUPAC Name: 5-benzylsulfanyl-1-phenylpentane-1,3-dione Traditional Name: 5-(benzylthio)-1-phenyl-pentane-1,3-dione Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H18O2S/c19-17(13-18(20)16-9-5-2-6-10-16)11-12-21-14-15-7-3-1-4-8-15/h1-10H,11-14H2