3-cyano-2-oxidanylidene-7-propyl-decanoic acid

Systemtic Name: 3-cyano-2-oxidanylidene-7-propyl-decanoic acid Openeye Name: 3-cyano-2-oxo-7-propyl-decanoic acid CAS Name: 3-cyano-2-oxo-7-propyldecanoic acid IUPAC Name: 3-cyano-2-oxo-7-propyldecanoic acid Traditional Name: 3-cyano-2-keto-7-propyl-capric acid Formula: C14H23NO3 MolecularWeight: 253.33732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)CCCC(C#N)C(=O)C(=O)O

Isomeric SMILES

CCCC(CCC)CCCC(C#N)C(=O)C(=O)O

InChI

InChI=1S/C14H23NO3/c1-3-6-11(7-4-2)8-5-9-12(10-15)13(16)14(17)18/h11-12H,3-9H2,1-2H3,(H,17,18)