3-octanoyloxythiolane-2-carboxylic acid

Systemtic Name: 3-octanoyloxythiolane-2-carboxylic acid Openeye Name: 3-octanoyloxytetrahydrothiophene-2-carboxylic acid CAS Name: 3-(1-oxooctoxy)-2-thiolanecarboxylic acid IUPAC Name: 3-octanoyloxythiolane-2-carboxylic acid Traditional Name: 3-caprylyloxytetrahydrothiophene-2-carboxylic acid Formula: C13H22O4S MolecularWeight: 274.37638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1CCSC1C(=O)O

Isomeric SMILES

CCCCCCCC(=O)OC1CCSC1C(=O)O

InChI

InChI=1S/C13H22O4S/c1-2-3-4-5-6-7-11(14)17-10-8-9-18-12(10)13(15)16/h10,12H,2-9H2,1H3,(H,15,16)