5-hexyl-3,3,5-trimethyl-thiolane-2,4-dione

Systemtic Name: 5-hexyl-3,3,5-trimethyl-thiolane-2,4-dione Openeye Name: 5-hexyl-3,3,5-trimethyl-tetrahydrothiophene-2,4-dione CAS Name: 5-hexyl-3,3,5-trimethylthiolane-2,4-dione IUPAC Name: 5-hexyl-3,3,5-trimethylthiolane-2,4-dione Traditional Name: 5-hexyl-3,3,5-trimethyl-tetrahydrothiophene-2,4-quinone Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(=O)C(C(=O)S1)(C)C)C

Isomeric SMILES

CCCCCCC1(C(=O)C(C(=O)S1)(C)C)C

InChI

InChI=1S/C13H22O2S/c1-5-6-7-8-9-13(4)10(14)12(2,3)11(15)16-13/h5-9H2,1-4H3