2-methyl-2-octyl-5-oxidanyl-thiophen-3-one

Systemtic Name: 2-methyl-2-octyl-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-2-methyl-2-octyl-thiophen-3-one CAS Name: 5-hydroxy-2-methyl-2-octyl-3-thiophenone IUPAC Name: 5-hydroxy-2-methyl-2-octylthiophen-3-one Traditional Name: 5-hydroxy-2-methyl-2-octyl-thiophen-3-one Formula: C13H22O2S MolecularWeight: 242.37758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C(=O)C=C(S1)O)C

Isomeric SMILES

CCCCCCCCC1(C(=O)C=C(S1)O)C

InChI

InChI=1S/C13H22O2S/c1-3-4-5-6-7-8-9-13(2)11(14)10-12(15)16-13/h10,15H,3-9H2,1-2H3