calcium 4-oxidanyl-4-oxidanylidene-3-(2-oxidanylpropoxy)butanoate

Systemtic Name: calcium 4-oxidanyl-4-oxidanylidene-3-(2-oxidanylpropoxy)butanoate Openeye Name: calcium 4-hydroxy-3-(2-hydroxypropoxy)-4-oxo-butanoate CAS Name: calcium 4-hydroxy-3-(2-hydroxypropoxy)-4-oxobutanoate IUPAC Name: calcium 4-hydroxy-3-(2-hydroxypropoxy)-4-oxobutanoate Traditional Name: calcium 4-hydroxy-3-(2-hydroxypropoxy)-4-keto-butyrate Formula: C14H22CaO12 MolecularWeight: 422.39528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(CC(=O)[O-])C(=O)O)O.CC(COC(CC(=O)[O-])C(=O)O)O.[Ca+2]

Isomeric SMILES

CC(COC(CC(=O)[O-])C(=O)O)O.CC(COC(CC(=O)[O-])C(=O)O)O.[Ca+2]

InChI

InChI=1S/2C7H12O6.Ca/c2*1-4(8)3-13-5(7(11)12)2-6(9)10;/h2*4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12);/q;;+2/p-2