bis[6-(trifluoromethyl)benzotriazol-1-yl] ethanedioate

Systemtic Name: bis[6-(trifluoromethyl)benzotriazol-1-yl] ethanedioate Openeye Name: bis[6-(trifluoromethyl)benzotriazol-1-yl] oxalate CAS Name: oxalic acid bis[6-(trifluoromethyl)-1-benzotriazolyl] ester IUPAC Name: bis[6-(trifluoromethyl)benzotriazol-1-yl] oxalate Traditional Name: oxalic acid bis[6-(trifluoromethyl)benzotriazol-1-yl] ester Formula: C16H6F6N6O4 MolecularWeight: 460.247059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N(N=N2)OC(=O)C(=O)ON3C4=C(C=CC(=C4)C(F)(F)F)N=N3

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N(N=N2)OC(=O)C(=O)ON3C4=C(C=CC(=C4)C(F)(F)F)N=N3

InChI

InChI=1S/C16H6F6N6O4/c17-15(18,19)7-1-3-9-11(5-7)27(25-23-9)31-13(29)14(30)32-28-12-6-8(16(20,21)22)2-4-10(12)24-26-28/h1-6H