calcium lithium sodium octadecanoate

Systemtic Name: calcium lithium sodium octadecanoate Openeye Name: calcium lithium sodium octadecanoate CAS Name: calcium lithium sodium octadecanoate IUPAC Name: calcium lithium sodium octadecanoate Traditional Name: calcium lithium sodium stearate Formula: C72H140CaLiNaO8 MolecularWeight: 1203.88597

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+].[Ca+2]

Isomeric SMILES

[Li+].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+].[Ca+2]

InChI

InChI=1S/4C18H36O2.Ca.Li.Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h4*2-17H2,1H3,(H,19,20);;;/q;;;;+2;2*+1/p-4