4-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-1,2,3-triazol-1-yl]benzoic acid

Systemtic Name: 4-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 4-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-triazol-1-yl]benzoic acid CAS Name: 4-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-1-triazolyl]benzoic acid IUPAC Name: 4-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyltriazol-1-yl]benzoic acid Traditional Name: 4-[5-(4-bromophenyl)-4-brosyl-triazol-1-yl]benzoic acid Formula: C21H13Br2N3O4S MolecularWeight: 563.21862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=NN2C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)Br)Br

InChI

InChI=1S/C21H13Br2N3O4S/c22-15-5-1-13(2-6-15)19-20(31(29,30)18-11-7-16(23)8-12-18)24-25-26(19)17-9-3-14(4-10-17)21(27)28/h1-12H,(H,27,28)