2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoic acid

Systemtic Name: 2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoic acid Openeye Name: 2-[di(octadecanoyl)amino]-3-octadecanoyl-benzoic acid CAS Name: 2-[bis(1-oxooctadecyl)amino]-3-(1-oxooctadecyl)benzoic acid IUPAC Name: 2-[di(octadecanoyl)amino]-3-octadecanoylbenzoic acid Traditional Name: 2-(distearoylamino)-3-stearoyl-benzoic acid Formula: C61H109NO5 MolecularWeight: 936.52186

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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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C(=CC=C1)C(=O)O)N(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C61H109NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52-57(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/h49-51H,4-48,52-54H2,1-3H3,(H,66,67)