tricalcium; 4-oxidanylidenepentanoic acid; phosphoric acid

Systemtic Name: tricalcium; 4-oxidanylidenepentanoic acid; phosphoric acid Openeye Name: tricalcium; 4-oxopentanoic acid; phosphoric acid CAS Name: tricalcium; 4-oxopentanoic acid; phosphoric acid IUPAC Name: tricalcium; 4-oxopentanoic acid; phosphoric acid Traditional Name: tricalcium; 4-ketovaleric acid; phosphoric acid Formula: C5H14Ca3O11P2+6 MolecularWeight: 432.339582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)O.OP(=O)(O)O.OP(=O)(O)O.[Ca+2].[Ca+2].[Ca+2]

Isomeric SMILES

CC(=O)CCC(=O)O.OP(=O)(O)O.OP(=O)(O)O.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/C5H8O3.3Ca.2H3O4P/c1-4(6)2-3-5(7)8;;;;2*1-5(2,3)4/h2-3H2,1H3,(H,7,8);;;;2*(H3,1,2,3,4)/q;3*+2;;