3-phenylsulfanylhexane-2,5-dione

Systemtic Name: 3-phenylsulfanylhexane-2,5-dione Openeye Name: 3-phenylsulfanylhexane-2,5-dione CAS Name: 3-(phenylthio)hexane-2,5-dione IUPAC Name: 3-phenylsulfanylhexane-2,5-dione Traditional Name: 3-(phenylthio)hexane-2,5-dione Formula: C12H14O2S MolecularWeight: 222.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)C)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(C(=O)C)SC1=CC=CC=C1

InChI

InChI=1S/C12H14O2S/c1-9(13)8-12(10(2)14)15-11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3