2,2,4-trimethyl-4-prop-2-enoxycarbonyl-hexanoic acid

Systemtic Name: 2,2,4-trimethyl-4-prop-2-enoxycarbonyl-hexanoic acid Openeye Name: 4-allyloxycarbonyl-2,2,4-trimethyl-hexanoic acid CAS Name: 2,2,4-trimethyl-4-[oxo(prop-2-enoxy)methyl]hexanoic acid IUPAC Name: 2,2,4-trimethyl-4-prop-2-enoxycarbonylhexanoic acid Traditional Name: 4-allyloxycarbonyl-2,2,4-trimethyl-hexanoic acid Formula: C13H22O4 MolecularWeight: 242.31138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)O)C(=O)OCC=C

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)O)C(=O)OCC=C

InChI

InChI=1S/C13H22O4/c1-6-8-17-11(16)13(5,7-2)9-12(3,4)10(14)15/h6H,1,7-9H2,2-5H3,(H,14,15)