(E)-2-cyano-3,5-dimethyl-hex-2-enoic acid

Systemtic Name: (E)-2-cyano-3,5-dimethyl-hex-2-enoic acid Openeye Name: (E)-2-cyano-3,5-dimethyl-hex-2-enoic acid CAS Name: (E)-2-cyano-3,5-dimethyl-2-hexenoic acid IUPAC Name: (E)-2-cyano-3,5-dimethylhex-2-enoic acid Traditional Name: (E)-2-cyano-3,5-dimethyl-hex-2-enoic acid Formula: C9H13NO2 MolecularWeight: 167.20502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO2/c1-6(2)4-7(3)8(5-10)9(11)12/h6H,4H2,1-3H3,(H,11,12)/b8-7+