3-[3-(5-iodanylbenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]-3-oxidanyl-propanoic acid

Systemtic Name: 3-[3-(5-iodanylbenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-3-[3-(5-iodobenzotriazol-2-yl)-5-(1-methyl-1-phenyl-ethyl)phenyl]propanoic acid CAS Name: 3-hydroxy-3-[3-(5-iodo-2-benzotriazolyl)-5-(2-phenylpropan-2-yl)phenyl]propanoic acid IUPAC Name: 3-hydroxy-3-[3-(5-iodobenzotriazol-2-yl)-5-(2-phenylpropan-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-cumyl-5-(5-iodobenzotriazol-2-yl)phenyl]-3-hydroxy-propionic acid Formula: C24H22IN3O3 MolecularWeight: 527.35425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)C(CC(=O)O)O)N3N=C4C=CC(=CC4=N3)I

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=CC(=C2)C(CC(=O)O)O)N3N=C4C=CC(=CC4=N3)I

InChI

InChI=1S/C24H22IN3O3/c1-24(2,16-6-4-3-5-7-16)17-10-15(22(29)14-23(30)31)11-19(12-17)28-26-20-9-8-18(25)13-21(20)27-28/h3-13,22,29H,14H2,1-2H3,(H,30,31)