lithium; decanedioate; hexanoate; 12-oxidanyloctadecanoate

Systemtic Name: lithium; decanedioate; hexanoate; 12-oxidanyloctadecanoate Openeye Name: lithium; decanedioate; hexanoate; 12-hydroxyoctadecanoate CAS Name: lithium; decanedioate; hexanoate; 12-hydroxyoctadecanoate IUPAC Name: lithium; decanedioate; hexanoate; 12-hydroxyoctadecanoate Traditional Name: lithium; hexanoate; 12-hydroxystearate; sebacate Formula: C34H62LiO9-3 MolecularWeight: 621.79168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O3.C10H18O4.C6H12O2.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3-4-5-6(7)8;/h17,19H,2-16H2,1H3,(H,20,21);1-8H2,(H,11,12)(H,13,14);2-5H2,1H3,(H,7,8);/q;;;+1/p-4