tricalcium 2-(2-oxidanylpropoxy)butanedioate

Systemtic Name: tricalcium 2-(2-oxidanylpropoxy)butanedioate Openeye Name: tricalcium 2-(2-hydroxypropoxy)butanedioate CAS Name: tricalcium 2-(2-hydroxypropoxy)butanedioate IUPAC Name: tricalcium 2-(2-hydroxypropoxy)butanedioate Traditional Name: tricalcium 2-(2-hydroxypropoxy)succinate Formula: C14H20Ca3O12+2 MolecularWeight: 500.5354

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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].[Ca+2].[Ca+2]

Isomeric SMILES

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

InChI

InChI=1S/2C7H12O6.3Ca/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;;3*+2/p-4