4-(dioctadecylamino)-6-phenylazanyl-1,2,3-triazine-5-carboxylic acid

Systemtic Name: 4-(dioctadecylamino)-6-phenylazanyl-1,2,3-triazine-5-carboxylic acid Openeye Name: 4-anilino-6-(dioctadecylamino)triazine-5-carboxylic acid CAS Name: 4-anilino-6-(dioctadecylamino)-5-triazinecarboxylic acid IUPAC Name: 4-anilino-6-(dioctadecylamino)triazine-5-carboxylic acid Traditional Name: 4-anilino-6-(distearylamino)triazine-5-carboxylic acid Formula: C46H81N5O2 MolecularWeight: 736.16764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=NN=NC(=C1C(=O)O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=NN=NC(=C1C(=O)O)NC2=CC=CC=C2

InChI

InChI=1S/C46H81N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-51(41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)45-43(46(52)53)44(48-50-49-45)47-42-38-34-33-35-39-42/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3,(H,52,53)(H,47,48,49)