calcium; butan-1-olate; ethanoic acid; octadecanoate

Systemtic Name: calcium; butan-1-olate; ethanoic acid; octadecanoate Openeye Name: calcium; acetic acid; butan-1-olate; octadecanoate CAS Name: calcium; acetic acid; 1-butanolate; octadecanoate IUPAC Name: calcium; acetic acid; butan-1-olate; octadecanoate Traditional Name: calcium; acetic acid; butan-1-olate; stearate Formula: C24H48CaO5 MolecularWeight: 456.71292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[O-].CC(=O)O.[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCC[O-].CC(=O)O.[Ca+2]

InChI

InChI=1S/C18H36O2.C4H9O.C2H4O2.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5;1-2(3)4;/h2-17H2,1H3,(H,19,20);2-4H2,1H3;1H3,(H,3,4);/q;-1;;+2/p-1