3-ethoxycarbonyl-6-(4-methoxyphenyl)-2-oxidanylidene-hexanoic acid

Systemtic Name: 3-ethoxycarbonyl-6-(4-methoxyphenyl)-2-oxidanylidene-hexanoic acid Openeye Name: 3-ethoxycarbonyl-6-(4-methoxyphenyl)-2-oxo-hexanoic acid CAS Name: 3-ethoxycarbonyl-6-(4-methoxyphenyl)-2-oxohexanoic acid IUPAC Name: 3-ethoxycarbonyl-6-(4-methoxyphenyl)-2-oxohexanoic acid Traditional Name: 3-carbethoxy-2-keto-6-(4-methoxyphenyl)hexanoic acid Formula: C16H20O6 MolecularWeight: 308.3264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=C(C=C1)OC)C(=O)C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=C(C=C1)OC)C(=O)C(=O)O

InChI

InChI=1S/C16H20O6/c1-3-22-16(20)13(14(17)15(18)19)6-4-5-11-7-9-12(21-2)10-8-11/h7-10,13H,3-6H2,1-2H3,(H,18,19)