bis[1,3-bis(4-ethoxycarbonyl-1,2,3-triazol-1-yl)propan-2-yl] benzene-1,4-dicarboxylate

Systemtic Name: bis[1,3-bis(4-ethoxycarbonyl-1,2,3-triazol-1-yl)propan-2-yl] benzene-1,4-dicarboxylate Openeye Name: bis[2-(4-ethoxycarbonyltriazol-1-yl)-1-[(4-ethoxycarbonyltriazol-1-yl)methyl]ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[1,3-bis(4-ethoxycarbonyl-1-triazolyl)propan-2-yl] ester IUPAC Name: bis[1,3-bis(4-ethoxycarbonyltriazol-1-yl)propan-2-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-(4-carbethoxytriazol-1-yl)-1-[(4-carbethoxytriazol-1-yl)methyl]ethyl] ester Formula: C34H38N12O12 MolecularWeight: 806.73872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=N1)CC(CN2C=C(N=N2)C(=O)OCC)OC(=O)C3=CC=C(C=C3)C(=O)OC(CN4C=C(N=N4)C(=O)OCC)CN5C=C(N=N5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(N=N1)CC(CN2C=C(N=N2)C(=O)OCC)OC(=O)C3=CC=C(C=C3)C(=O)OC(CN4C=C(N=N4)C(=O)OCC)CN5C=C(N=N5)C(=O)OCC

InChI

InChI=1S/C34H38N12O12/c1-5-53-31(49)25-17-43(39-35-25)13-23(14-44-18-26(36-40-44)32(50)54-6-2)57-29(47)21-9-11-22(12-10-21)30(48)58-24(15-45-19-27(37-41-45)33(51)55-7-3)16-46-20-28(38-42-46)34(52)56-8-4/h9-12,17-20,23-24H,5-8,13-16H2,1-4H3