calcium lithium 12-oxidanyloctadecanoate

Systemtic Name: calcium lithium 12-oxidanyloctadecanoate Openeye Name: calcium lithium 12-hydroxyoctadecanoate CAS Name: calcium lithium 12-hydroxyoctadecanoate IUPAC Name: calcium lithium 12-hydroxyoctadecanoate Traditional Name: calcium lithium 12-hydroxystearate Formula: C36H70CaLiO6+ MolecularWeight: 645.9564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O3.Ca.Li/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h2*17,19H,2-16H2,1H3,(H,20,21);;/q;;+2;+1/p-2