(E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid chloride

Systemtic Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid chloride Openeye Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid chloride CAS Name: (E)-8-(1-imidazolyl)-4,4-dimethyl-2-octenoic acid chloride IUPAC Name: (E)-8-imidazol-1-yl-4,4-dimethyloct-2-enoic acid chloride Traditional Name: (E)-8-imidazol-1-yl-4,4-dimethyl-oct-2-enoic acid chloride Formula: C13H20ClN2O2- MolecularWeight: 271.7631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C=CN=C1)C=CC(=O)O.[Cl-]

Isomeric SMILES

CC(C)(CCCCN1C=CN=C1)/C=C/C(=O)O.[Cl-]

InChI

InChI=1S/C13H20N2O2.ClH/c1-13(2,7-5-12(16)17)6-3-4-9-15-10-8-14-11-15;/h5,7-8,10-11H,3-4,6,9H2,1-2H3,(H,16,17);1H/p-1/b7-5+;