2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid Openeye Name: 2-tert-butoxycarbonyl-2-(difluoromethyl)hex-5-enoic acid CAS Name: 2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-hexenoic acid IUPAC Name: 2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid Traditional Name: 2-tert-butoxycarbonyl-2-(difluoromethyl)hex-5-enoic acid Formula: C12H18F2O4 MolecularWeight: 264.265726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC=C)(C(F)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC=C)(C(F)F)C(=O)O

InChI

InChI=1S/C12H18F2O4/c1-5-6-7-12(8(13)14,9(15)16)10(17)18-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,15,16)