3-(3-methylpentanoyloxy)thiolane-2-carboxylic acid

Systemtic Name: 3-(3-methylpentanoyloxy)thiolane-2-carboxylic acid Openeye Name: 3-(3-methylpentanoyloxy)tetrahydrothiophene-2-carboxylic acid CAS Name: 3-(3-methyl-1-oxopentoxy)-2-thiolanecarboxylic acid IUPAC Name: 3-(3-methylpentanoyloxy)thiolane-2-carboxylic acid Traditional Name: 3-(3-methylpentanoyloxy)tetrahydrothiophene-2-carboxylic acid Formula: C11H18O4S MolecularWeight: 246.32322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)OC1CCSC1C(=O)O

Isomeric SMILES

CCC(C)CC(=O)OC1CCSC1C(=O)O

InChI

InChI=1S/C11H18O4S/c1-3-7(2)6-9(12)15-8-4-5-16-10(8)11(13)14/h7-8,10H,3-6H2,1-2H3,(H,13,14)