3-methyl-4-[[2,3,6-tris(chloranyl)phenyl]methylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[2,3,6-tris(chloranyl)phenyl]methylamino]benzoic acid Openeye Name: 3-methyl-4-[(2,3,6-trichlorophenyl)methylamino]benzoic acid CAS Name: 3-methyl-4-[(2,3,6-trichlorophenyl)methylamino]benzoic acid IUPAC Name: 3-methyl-4-[(2,3,6-trichlorophenyl)methylamino]benzoic acid Traditional Name: 3-methyl-4-[(2,3,6-trichlorobenzyl)amino]benzoic acid Formula: C15H12Cl3NO2 MolecularWeight: 344.62028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCC2=C(C=CC(=C2Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCC2=C(C=CC(=C2Cl)Cl)Cl

InChI

InChI=1S/C15H12Cl3NO2/c1-8-6-9(15(20)21)2-5-13(8)19-7-10-11(16)3-4-12(17)14(10)18/h2-6,19H,7H2,1H3,(H,20,21)