1-(2-ethyl-2-methyl-thian-4-yl)butan-1-one

Systemtic Name: 1-(2-ethyl-2-methyl-thian-4-yl)butan-1-one Openeye Name: 1-(2-ethyl-2-methyl-tetrahydrothiopyran-4-yl)butan-1-one CAS Name: 1-(2-ethyl-2-methyl-4-thianyl)-1-butanone IUPAC Name: 1-(2-ethyl-2-methylthian-4-yl)butan-1-one Traditional Name: 1-(2-ethyl-2-methyl-tetrahydrothiopyran-4-yl)butan-1-one Formula: C12H22OS MolecularWeight: 214.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CCSC(C1)(C)CC

Isomeric SMILES

CCCC(=O)C1CCSC(C1)(C)CC

InChI

InChI=1S/C12H22OS/c1-4-6-11(13)10-7-8-14-12(3,5-2)9-10/h10H,4-9H2,1-3H3