9-methylsulfanyl-1-phenyl-nonane-1,8-dione

Systemtic Name: 9-methylsulfanyl-1-phenyl-nonane-1,8-dione Openeye Name: 9-methylsulfanyl-1-phenyl-nonane-1,8-dione CAS Name: 9-(methylthio)-1-phenylnonane-1,8-dione IUPAC Name: 9-methylsulfanyl-1-phenylnonane-1,8-dione Traditional Name: 9-(methylthio)-1-phenyl-nonane-1,8-dione Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)CCCCCCC(=O)C1=CC=CC=C1

Isomeric SMILES

CSCC(=O)CCCCCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O2S/c1-19-13-15(17)11-7-2-3-8-12-16(18)14-9-5-4-6-10-14/h4-6,9-10H,2-3,7-8,11-13H2,1H3