2,6-dimethyl-3-(4-oxidanylideneheptan-3-ylsulfanyl)heptan-4-one

Systemtic Name: 2,6-dimethyl-3-(4-oxidanylideneheptan-3-ylsulfanyl)heptan-4-one Openeye Name: 3-(1-ethyl-2-oxo-pentyl)sulfanyl-2,6-dimethyl-heptan-4-one CAS Name: 2,6-dimethyl-3-(4-oxoheptan-3-ylthio)-4-heptanone IUPAC Name: 2,6-dimethyl-3-(4-oxoheptan-3-ylsulfanyl)heptan-4-one Traditional Name: 3-[(1-ethyl-2-keto-pentyl)thio]-2,6-dimethyl-heptan-4-one Formula: C16H30O2S MolecularWeight: 286.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC)SC(C(C)C)C(=O)CC(C)C

Isomeric SMILES

CCCC(=O)C(CC)SC(C(C)C)C(=O)CC(C)C

InChI

InChI=1S/C16H30O2S/c1-7-9-13(17)15(8-2)19-16(12(5)6)14(18)10-11(3)4/h11-12,15-16H,7-10H2,1-6H3