3-[3,5-bis(4-chlorophenyl)-1,2,3-triazol-4-yl]-4-methyl-benzoic acid

Systemtic Name: 3-[3,5-bis(4-chlorophenyl)-1,2,3-triazol-4-yl]-4-methyl-benzoic acid Openeye Name: 3-[3,5-bis(4-chlorophenyl)triazol-4-yl]-4-methyl-benzoic acid CAS Name: 3-[3,5-bis(4-chlorophenyl)-4-triazolyl]-4-methylbenzoic acid IUPAC Name: 3-[3,5-bis(4-chlorophenyl)triazol-4-yl]-4-methylbenzoic acid Traditional Name: 3-[3,5-bis(4-chlorophenyl)triazol-4-yl]-4-methyl-benzoic acid Formula: C22H15Cl2N3O2 MolecularWeight: 424.2794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=C(N=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=C(N=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H15Cl2N3O2/c1-13-2-3-15(22(28)29)12-19(13)21-20(14-4-6-16(23)7-5-14)25-26-27(21)18-10-8-17(24)9-11-18/h2-12H,1H3,(H,28,29)