calcium; docosanoate; iron(2+)

Systemtic Name: calcium; docosanoate; iron(2+) Openeye Name: calcium ferrous docosanoate CAS Name: calcium; docosanoate; iron(2+) IUPAC Name: calcium; docosanoate; iron(2+) Traditional Name: calcium ferrous behenate Formula: C22H43CaFeO2+3 MolecularWeight: 435.49862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2].[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2].[Fe+2]

InChI

InChI=1S/C22H44O2.Ca.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;/h2-21H2,1H3,(H,23,24);;/q;2*+2/p-1