calcium 2-(dodecanoylamino)ethanoate

Systemtic Name: calcium 2-(dodecanoylamino)ethanoate Openeye Name: calcium 2-(dodecanoylamino)acetate CAS Name: calcium 2-(1-oxododecylamino)acetate IUPAC Name: calcium 2-(dodecanoylamino)acetate Traditional Name: calcium 2-(lauroylamino)acetate Formula: C28H52CaN2O6 MolecularWeight: 552.80028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCCCCCC(=O)NCC(=O)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(=O)[O-].CCCCCCCCCCCC(=O)NCC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C14H27NO3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13(16)15-12-14(17)18;/h2*2-12H2,1H3,(H,15,16)(H,17,18);/q;;+2/p-2