4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid

Systemtic Name: 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid Openeye Name: 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid CAS Name: 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid IUPAC Name: 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoic acid Traditional Name: 4-[4,6-bis(trichloromethyl)-s-triazin-2-yl]benzoic acid Formula: C12H5Cl6N3O2 MolecularWeight: 435.905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C12H5Cl6N3O2/c13-11(14,15)9-19-7(20-10(21-9)12(16,17)18)5-1-3-6(4-2-5)8(22)23/h1-4H,(H,22,23)