tetralithium; nonanedioate; 12-oxidanyloctadecanoate

Systemtic Name: tetralithium; nonanedioate; 12-oxidanyloctadecanoate Openeye Name: tetralithium; 12-hydroxyoctadecanoate; nonanedioate CAS Name: tetralithium; 12-hydroxyoctadecanoate; nonanedioate IUPAC Name: tetralithium; 12-hydroxyoctadecanoate; nonanedioate Traditional Name: tetralithium; azelaate; 12-hydroxystearate Formula: C45H84Li4O10 MolecularWeight: 812.90646

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].[Li+].CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.C(CCCC(=O)[O-])CCCC(=O)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].[Li+].CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.C(CCCC(=O)[O-])CCCC(=O)[O-]

InChI

InChI=1S/2C18H36O3.C9H16O4.4Li/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;10-8(11)6-4-2-1-3-5-7-9(12)13;;;;/h2*17,19H,2-16H2,1H3,(H,20,21);1-7H2,(H,10,11)(H,12,13);;;;/q;;;4*+1/p-4