2-(dioctadecylcarbamoyl)benzoic acid

Systemtic Name: 2-(dioctadecylcarbamoyl)benzoic acid Openeye Name: 2-(dioctadecylcarbamoyl)benzoic acid CAS Name: 2-[(dioctadecylamino)-oxomethyl]benzoic acid IUPAC Name: 2-(dioctadecylcarbamoyl)benzoic acid Traditional Name: 2-(distearylcarbamoyl)benzoic acid Formula: C44H79NO3 MolecularWeight: 670.10296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C44H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45(43(46)41-37-33-34-38-42(41)44(47)48)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3,(H,47,48)