4,5-dimethyl-5-phenylsulfanyl-heptan-3-one

Systemtic Name: 4,5-dimethyl-5-phenylsulfanyl-heptan-3-one Openeye Name: 4,5-dimethyl-5-phenylsulfanyl-heptan-3-one CAS Name: 4,5-dimethyl-5-(phenylthio)-3-heptanone IUPAC Name: 4,5-dimethyl-5-phenylsulfanylheptan-3-one Traditional Name: 4,5-dimethyl-5-(phenylthio)heptan-3-one Formula: C15H22OS MolecularWeight: 250.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22OS/c1-5-14(16)12(3)15(4,6-2)17-13-10-8-7-9-11-13/h7-12H,5-6H2,1-4H3