calcium 4-(octadecanoylamino)phenolate

Systemtic Name: calcium 4-(octadecanoylamino)phenolate Openeye Name: calcium 4-(octadecanoylamino)phenolate CAS Name: calcium 4-(1-oxooctadecylamino)phenolate IUPAC Name: calcium 4-(octadecanoylamino)phenolate Traditional Name: calcium 4-stearamidophenolate Formula: C48H80CaN2O4 MolecularWeight: 789.2378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[O-].[Ca+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)[O-].[Ca+2]

InChI

InChI=1S/2C24H41NO2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(26)21-19-22;/h2*18-21,26H,2-17H2,1H3,(H,25,27);/q;;+2/p-2