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calcium octacosanoate

calcium octacosanoate

Systemtic Name:calcium octacosanoate
Openeye Name:calcium octacosanoate
CAS Name:calcium octacosanoate
IUPAC Name:calcium octacosanoate
Traditional Name:calcium montanate
Formula: C56H110CaO4
MolecularWeight: 887.5482
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]


InChI

InChI=1S/2C28H56O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;/h2*2-27H2,1H3,(H,29,30);/q;;+2/p-2


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