(E)-6-acetyloxy-2-ethoxycarbonyl-2-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-acetyloxy-2-ethoxycarbonyl-2-methyl-hex-4-enoic acid Openeye Name: (E)-6-acetoxy-2-ethoxycarbonyl-2-methyl-hex-4-enoic acid CAS Name: (E)-6-acetyloxy-2-ethoxycarbonyl-2-methyl-4-hexenoic acid IUPAC Name: (E)-6-acetyloxy-2-ethoxycarbonyl-2-methylhex-4-enoic acid Traditional Name: (E)-6-acetoxy-2-carbethoxy-2-methyl-hex-4-enoic acid Formula: C12H18O6 MolecularWeight: 258.26772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CC=CCOC(=O)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(C)(C/C=C/COC(=O)C)C(=O)O

InChI

InChI=1S/C12H18O6/c1-4-17-11(16)12(3,10(14)15)7-5-6-8-18-9(2)13/h5-6H,4,7-8H2,1-3H3,(H,14,15)/b6-5+