3-methyl-4-octylsulfanyl-butan-2-one

Systemtic Name: 3-methyl-4-octylsulfanyl-butan-2-one Openeye Name: 3-methyl-4-octylsulfanyl-butan-2-one CAS Name: 3-methyl-4-(octylthio)-2-butanone IUPAC Name: 3-methyl-4-octylsulfanylbutan-2-one Traditional Name: 3-methyl-4-(octylthio)butan-2-one Formula: C13H26OS MolecularWeight: 230.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCC(C)C(=O)C

Isomeric SMILES

CCCCCCCCSCC(C)C(=O)C

InChI

InChI=1S/C13H26OS/c1-4-5-6-7-8-9-10-15-11-12(2)13(3)14/h12H,4-11H2,1-3H3