6-(4-cyanophenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(4-cyanophenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-cyanophenyl)-6-oxo-hexanoic acid CAS Name: 6-(4-cyanophenyl)-6-oxohexanoic acid IUPAC Name: 6-(4-cyanophenyl)-6-oxohexanoic acid Traditional Name: 6-(4-cyanophenyl)-6-keto-hexanoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CCCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CCCCC(=O)O

InChI

InChI=1S/C13H13NO3/c14-9-10-5-7-11(8-6-10)12(15)3-1-2-4-13(16)17/h5-8H,1-4H2,(H,16,17)