chromium(3+); 2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoate

Systemtic Name: chromium(3+); 2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoate Openeye Name: chromic 2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoate CAS Name: 2-[bis(1-oxooctadecyl)amino]-3-(1-oxooctadecyl)benzoate; chromium(3+) IUPAC Name: chromium(3+); 2-[di(octadecanoyl)amino]-3-octadecanoylbenzoate Traditional Name: chromic 2-(distearoylamino)-3-stearoyl-benzoate Formula: C183H324CrN3O15 MolecularWeight: 2858.53786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.[Cr+3]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)[O-])N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC.[Cr+3]

InChI

InChI=1S/3C61H109NO5.Cr/c3*1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57(63)55-50-49-51-56(61(66)67)60(55)62(58(64)53-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)59(65)54-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;/h3*49-51H,4-48,52-54H2,1-3H3,(H,66,67);/q;;;+3/p-3