(E)-2-cyano-4-ethyl-hex-2-enoic acid

Systemtic Name: (E)-2-cyano-4-ethyl-hex-2-enoic acid Openeye Name: (E)-2-cyano-4-ethyl-hex-2-enoic acid CAS Name: (E)-2-cyano-4-ethyl-2-hexenoic acid IUPAC Name: (E)-2-cyano-4-ethylhex-2-enoic acid Traditional Name: (E)-2-cyano-4-ethyl-hex-2-enoic acid Formula: C9H13NO2 MolecularWeight: 167.20502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C9H13NO2/c1-3-7(4-2)5-8(6-10)9(11)12/h5,7H,3-4H2,1-2H3,(H,11,12)/b8-5+