2-heptyl-2,4-dimethyl-5-oxidanyl-thiophen-3-one

Systemtic Name: 2-heptyl-2,4-dimethyl-5-oxidanyl-thiophen-3-one Openeye Name: 2-heptyl-5-hydroxy-2,4-dimethyl-thiophen-3-one CAS Name: 2-heptyl-5-hydroxy-2,4-dimethyl-3-thiophenone IUPAC Name: 2-heptyl-5-hydroxy-2,4-dimethylthiophen-3-one Traditional Name: 2-heptyl-5-hydroxy-2,4-dimethyl-thiophen-3-one Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C(=O)C(=C(S1)O)C)C

Isomeric SMILES

CCCCCCCC1(C(=O)C(=C(S1)O)C)C

InChI

InChI=1S/C13H22O2S/c1-4-5-6-7-8-9-13(3)11(14)10(2)12(15)16-13/h15H,4-9H2,1-3H3