4-[1-(4-chloranylphenoxy)-3-oxidanyl-propan-2-yl]oxy-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-(4-chloranylphenoxy)-3-oxidanyl-propan-2-yl]oxy-4-oxidanylidene-butanoate Openeye Name: 4-[1-[(4-chlorophenoxy)methyl]-2-hydroxy-ethoxy]-4-oxo-butanoate CAS Name: 4-[1-(4-chlorophenoxy)-3-hydroxypropan-2-yl]oxy-4-oxobutanoate IUPAC Name: 4-[1-(4-chlorophenoxy)-3-hydroxypropan-2-yl]oxy-4-oxobutanoate Traditional Name: 4-[1-[(4-chlorophenoxy)methyl]-2-hydroxy-ethoxy]-4-keto-butyrate Formula: C13H14ClO6- MolecularWeight: 301.69966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CO)OC(=O)CCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(CO)OC(=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C13H15ClO6/c14-9-1-3-10(4-2-9)19-8-11(7-15)20-13(18)6-5-12(16)17/h1-4,11,15H,5-8H2,(H,16,17)/p-1