calcium propane-1,2,3-triol diethanoate

Systemtic Name: calcium propane-1,2,3-triol diethanoate Openeye Name: calcium glycerol diacetate CAS Name: calcium propane-1,2,3-triol diacetate IUPAC Name: calcium propane-1,2,3-triol diacetate Traditional Name: calcium glycerol diacetate Formula: C10H22CaO10 MolecularWeight: 342.35368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C3H8O3.2C2H4O2.Ca/c2*4-1-3(6)2-5;2*1-2(3)4;/h2*3-6H,1-2H2;2*1H3,(H,3,4);/q;;;;+2/p-2