calcium 5-docosoxy-5-oxidanylidene-pentanoate

Systemtic Name: calcium 5-docosoxy-5-oxidanylidene-pentanoate Openeye Name: calcium 5-docosoxy-5-oxo-pentanoate CAS Name: calcium 5-docosoxy-5-oxopentanoate IUPAC Name: calcium 5-docosoxy-5-oxopentanoate Traditional Name: calcium 5-behenyloxy-5-keto-valerate Formula: C27H51CaO4+ MolecularWeight: 479.76944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H52O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-31-27(30)24-22-23-26(28)29;/h2-25H2,1H3,(H,28,29);/q;+2/p-1