tricalcium decanoate

Systemtic Name: tricalcium decanoate Openeye Name: tricalcium decanoate CAS Name: tricalcium decanoate IUPAC Name: tricalcium decanoate Traditional Name: tricalcium caprate Formula: C60H114Ca3O12 MolecularWeight: 1147.77396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C10H20O2.3Ca/c6*1-2-3-4-5-6-7-8-9-10(11)12;;;/h6*2-9H2,1H3,(H,11,12);;;/q;;;;;;3*+2/p-6