calcium 12-oxidanyloctadecanoate ethanoate

Systemtic Name: calcium 12-oxidanyloctadecanoate ethanoate Openeye Name: calcium 12-hydroxyoctadecanoate acetate CAS Name: calcium 12-hydroxyoctadecanoate acetate IUPAC Name: calcium 12-hydroxyoctadecanoate acetate Traditional Name: calcium 12-hydroxystearate acetate Formula: C20H38CaO5 MolecularWeight: 398.59072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CC(=O)[O-].[Ca+2]

InChI

InChI=1S/C18H36O3.C2H4O2.Ca/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2(3)4;/h17,19H,2-16H2,1H3,(H,20,21);1H3,(H,3,4);/q;;+2/p-2