dicalcium nonanedioate

Systemtic Name: dicalcium nonanedioate Openeye Name: dicalcium nonanedioate CAS Name: dicalcium nonanedioate IUPAC Name: dicalcium nonanedioate Traditional Name: dicalcium azelaate Formula: C18H28Ca2O8 MolecularWeight: 452.56612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H16O4.2Ca/c2*10-8(11)6-4-2-1-3-5-7-9(12)13;;/h2*1-7H2,(H,10,11)(H,12,13);;/q;;2*+2/p-4