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

Systemtic Name: 3-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-1,2,3-triazol-1-yl]benzoic acid Openeye Name: 3-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-triazol-1-yl]benzoic acid CAS Name: 3-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyl-1-triazolyl]benzoic acid IUPAC Name: 3-[5-(4-bromophenyl)-4-(4-bromophenyl)sulfonyltriazol-1-yl]benzoic acid Traditional Name: 3-[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(=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(N=N2)S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br)C(=O)O

InChI

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