3-but-3-en-2-ylsulfanyl-2,6-dimethyl-heptan-4-one

Systemtic Name: 3-but-3-en-2-ylsulfanyl-2,6-dimethyl-heptan-4-one Openeye Name: 2,6-dimethyl-3-(1-methylallylsulfanyl)heptan-4-one CAS Name: 3-(but-3-en-2-ylthio)-2,6-dimethyl-4-heptanone IUPAC Name: 3-but-3-en-2-ylsulfanyl-2,6-dimethylheptan-4-one Traditional Name: 2,6-dimethyl-3-(1-methylallylthio)heptan-4-one Formula: C13H24OS MolecularWeight: 228.39406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24OS/c1-7-11(6)15-13(10(4)5)12(14)8-9(2)3/h7,9-11,13H,1,8H2,2-6H3