2,4-dimethyl-2-(3-methylbutyl)-5-oxidanyl-thiophen-3-one

Systemtic Name: 2,4-dimethyl-2-(3-methylbutyl)-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-2-isopentyl-2,4-dimethyl-thiophen-3-one CAS Name: 5-hydroxy-2,4-dimethyl-2-(3-methylbutyl)-3-thiophenone IUPAC Name: 5-hydroxy-2,4-dimethyl-2-(3-methylbutyl)thiophen-3-one Traditional Name: 5-hydroxy-2-isoamyl-2,4-dimethyl-thiophen-3-one Formula: C11H18O2S MolecularWeight: 214.32442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(C1=O)(C)CCC(C)C)O

Isomeric SMILES

CC1=C(SC(C1=O)(C)CCC(C)C)O

InChI

InChI=1S/C11H18O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h7,13H,5-6H2,1-4H3