2-(6-cyanohexyl)-4-oxidanylidene-thiolane-3-carboxylic acid

Systemtic Name: 2-(6-cyanohexyl)-4-oxidanylidene-thiolane-3-carboxylic acid Openeye Name: 2-(6-cyanohexyl)-4-oxo-tetrahydrothiophene-3-carboxylic acid CAS Name: 2-(6-cyanohexyl)-4-oxo-3-thiolanecarboxylic acid IUPAC Name: 2-(6-cyanohexyl)-4-oxothiolane-3-carboxylic acid Traditional Name: 2-(6-cyanohexyl)-4-keto-tetrahydrothiophene-3-carboxylic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(C(S1)CCCCCCC#N)C(=O)O

Isomeric SMILES

C1C(=O)C(C(S1)CCCCCCC#N)C(=O)O

InChI

InChI=1S/C12H17NO3S/c13-7-5-3-1-2-4-6-10-11(12(15)16)9(14)8-17-10/h10-11H,1-6,8H2,(H,15,16)