calcium; N',N'-dioctadecylethane-1,2-diamine; octadecanoate

Systemtic Name: calcium; N',N'-dioctadecylethane-1,2-diamine; octadecanoate Openeye Name: calcium; N',N'-dioctadecylethane-1,2-diamine; octadecanoate CAS Name: calcium; N',N'-dioctadecylethane-1,2-diamine; octadecanoate IUPAC Name: calcium; N',N'-dioctadecylethane-1,2-diamine; octadecanoate Traditional Name: calcium; 2-aminoethyl(distearyl)amine; stearate Formula: C56H115CaN2O2+ MolecularWeight: 888.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCN.CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCN.CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

InChI

InChI=1S/C38H80N2.C18H36O2.Ca/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(38-35-39)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-39H2,1-2H3;2-17H2,1H3,(H,19,20);/q;;+2/p-1