calcium 1,3-bis(oxidanyl)propan-2-yl 2-oxidanylpropanoate

Systemtic Name: calcium 1,3-bis(oxidanyl)propan-2-yl 2-oxidanylpropanoate Openeye Name: calcium [2-hydroxy-1-(hydroxymethyl)ethyl] 2-hydroxypropanoate CAS Name: calcium 2-hydroxypropanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: calcium 1,3-dihydroxypropan-2-yl 2-hydroxypropanoate Traditional Name: calcium 2-hydroxypropionic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C6H12CaO5+2 MolecularWeight: 204.23448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O5.Ca/c1-4(9)6(10)11-5(2-7)3-8;/h4-5,7-9H,2-3H2,1H3;/q;+2