[6-(dioctadecylamino)-1,2,3-triazin-4-yl]-phenyl-carbamic acid

Systemtic Name: [6-(dioctadecylamino)-1,2,3-triazin-4-yl]-phenyl-carbamic acid Openeye Name: [6-(dioctadecylamino)triazin-4-yl]-phenyl-carbamic acid CAS Name: [6-(dioctadecylamino)-4-triazinyl]-phenylcarbamic acid IUPAC Name: [6-(dioctadecylamino)triazin-4-yl]-phenylcarbamic acid Traditional Name: [6-(distearylamino)triazin-4-yl]-phenyl-carbamic acid Formula: C46H81N5O2 MolecularWeight: 736.16764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=NN=NC(=C1)N(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C1=NN=NC(=C1)N(C2=CC=CC=C2)C(=O)O

InChI

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