2-heptan-2-yl-2,4-dimethyl-5-oxidanyl-thiophen-3-one

Systemtic Name: 2-heptan-2-yl-2,4-dimethyl-5-oxidanyl-thiophen-3-one Openeye Name: 5-hydroxy-2,4-dimethyl-2-(1-methylhexyl)thiophen-3-one CAS Name: 2-heptan-2-yl-5-hydroxy-2,4-dimethyl-3-thiophenone IUPAC Name: 2-heptan-2-yl-5-hydroxy-2,4-dimethylthiophen-3-one Traditional Name: 5-hydroxy-2,4-dimethyl-2-(1-methylhexyl)thiophen-3-one Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1(C(=O)C(=C(S1)O)C)C

Isomeric SMILES

CCCCCC(C)C1(C(=O)C(=C(S1)O)C)C

InChI

InChI=1S/C13H22O2S/c1-5-6-7-8-9(2)13(4)11(14)10(3)12(15)16-13/h9,15H,5-8H2,1-4H3