bis[[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl] carbonate

Systemtic Name: bis[[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl] carbonate Openeye Name: bis[[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl] carbonate CAS Name: carbonic acid bis[[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl] ester IUPAC Name: bis[[2-[3-(3-ethoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl] carbonate Traditional Name: carbonic acid bis[2-(3-m-phenetyl-1H-1,2,4-triazol-5-yl)benzyl] ester Formula: C35H32N6O5 MolecularWeight: 616.66578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3COC(=O)OCC4=CC=CC=C4C5=NC(=NN5)C6=CC(=CC=C6)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NNC(=N2)C3=CC=CC=C3COC(=O)OCC4=CC=CC=C4C5=NC(=NN5)C6=CC(=CC=C6)OCC

InChI

InChI=1S/C35H32N6O5/c1-3-43-27-15-9-13-23(19-27)31-36-33(40-38-31)29-17-7-5-11-25(29)21-45-35(42)46-22-26-12-6-8-18-30(26)34-37-32(39-41-34)24-14-10-16-28(20-24)44-4-2/h5-20H,3-4,21-22H2,1-2H3,(H,36,38,40)(H,37,39,41)