[4-[5,6-bis(trichloromethyl)-1,2,3-triazin-4-yl]-2-bromanyl-phenyl]-bis(ethoxycarbonyl)-methyl-azanium

Systemtic Name: [4-[5,6-bis(trichloromethyl)-1,2,3-triazin-4-yl]-2-bromanyl-phenyl]-bis(ethoxycarbonyl)-methyl-azanium Openeye Name: [4-[5,6-bis(trichloromethyl)triazin-4-yl]-2-bromo-phenyl]-bis(ethoxycarbonyl)-methyl-ammonium CAS Name: [4-[5,6-bis(trichloromethyl)-4-triazinyl]-2-bromophenyl]-bis(ethoxycarbonyl)-methylammonium IUPAC Name: [4-[5,6-bis(trichloromethyl)triazin-4-yl]-2-bromophenyl]-bis(ethoxycarbonyl)-methylazanium Traditional Name: [4-[5,6-bis(trichloromethyl)triazin-4-yl]-2-bromo-phenyl]-dicarbethoxy-methyl-ammonium Formula: C18H16BrCl6N4O4+ MolecularWeight: 644.96604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+](C)(C1=C(C=C(C=C1)C2=C(C(=NN=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)[N+](C)(C1=C(C=C(C=C1)C2=C(C(=NN=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Br)C(=O)OCC

InChI

InChI=1S/C18H16BrCl6N4O4/c1-4-32-15(30)29(3,16(31)33-5-2)11-7-6-9(8-10(11)19)13-12(17(20,21)22)14(18(23,24)25)27-28-26-13/h6-8H,4-5H2,1-3H3/q+1