dioctadecylazanium; 2-(dioctadecylcarbamoyl)benzoate

Systemtic Name: dioctadecylazanium; 2-(dioctadecylcarbamoyl)benzoate Openeye Name: dioctadecylammonium; 2-(dioctadecylcarbamoyl)benzoate CAS Name: 2-[(dioctadecylamino)-oxomethyl]benzoate; dioctadecylammonium IUPAC Name: dioctadecylazanium; 2-(dioctadecylcarbamoyl)benzoate Traditional Name: distearylammonium; 2-(distearylcarbamoyl)benzoate Formula: C80H154N2O3 MolecularWeight: 1192.09036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C44H79NO3.C36H75N/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;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3,(H,47,48);37H,3-36H2,1-2H3