chromium(3+); 2-(octadecanoylamino)benzoate

Systemtic Name: chromium(3+); 2-(octadecanoylamino)benzoate Openeye Name: chromic 2-(octadecanoylamino)benzoate CAS Name: chromium(3+); 2-(1-oxooctadecylamino)benzoate IUPAC Name: chromium(3+); 2-(octadecanoylamino)benzoate Traditional Name: chromic 2-stearamidobenzoate Formula: C75H120CrN3O9 MolecularWeight: 1259.7661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].[Cr+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1C(=O)[O-].[Cr+3]

InChI

InChI=1S/3C25H41NO3.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(27)26-23-20-18-17-19-22(23)25(28)29;/h3*17-20H,2-16,21H2,1H3,(H,26,27)(H,28,29);/q;;;+3/p-3