tris[4-(benzotriazol-2-yl)phenyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[4-(benzotriazol-2-yl)phenyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[4-(benzotriazol-2-yl)phenyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[4-(2-benzotriazolyl)phenyl] ester IUPAC Name: tris[4-(benzotriazol-2-yl)phenyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[4-(benzotriazol-2-yl)phenyl] ester Formula: C45H27N9O6 MolecularWeight: 789.75258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(=O)OC5=CC=C(C=C5)N6N=C7C=CC=CC7=N6)C(=O)OC8=CC=C(C=C8)N9N=C1C=CC=CC1=N9

Isomeric SMILES

C1=CC2=NN(N=C2C=C1)C3=CC=C(C=C3)OC(=O)C4=CC(=CC(=C4)C(=O)OC5=CC=C(C=C5)N6N=C7C=CC=CC7=N6)C(=O)OC8=CC=C(C=C8)N9N=C1C=CC=CC1=N9

InChI

InChI=1S/C45H27N9O6/c55-43(58-34-19-13-31(14-20-34)52-46-37-7-1-2-8-38(37)47-52)28-25-29(44(56)59-35-21-15-32(16-22-35)53-48-39-9-3-4-10-40(39)49-53)27-30(26-28)45(57)60-36-23-17-33(18-24-36)54-50-41-11-5-6-12-42(41)51-54/h1-27H