6-methyl-1-phenylsulfanyl-heptane-2,5-dione

Systemtic Name: 6-methyl-1-phenylsulfanyl-heptane-2,5-dione Openeye Name: 6-methyl-1-phenylsulfanyl-heptane-2,5-dione CAS Name: 6-methyl-1-(phenylthio)heptane-2,5-dione IUPAC Name: 6-methyl-1-phenylsulfanylheptane-2,5-dione Traditional Name: 6-methyl-1-(phenylthio)heptane-2,5-dione Formula: C14H18O2S MolecularWeight: 250.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)CCC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H18O2S/c1-11(2)14(16)9-8-12(15)10-17-13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3