3-[3-tert-butyl-5-(5-iodanylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[3-tert-butyl-5-(5-iodanylbenzotriazol-2-yl)-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-4-hydroxy-5-(5-iodo-2-benzotriazolyl)phenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-(5-iodobenzotriazol-2-yl)phenyl]propionic acid Formula: C19H20IN3O3 MolecularWeight: 465.28487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)I)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)I)O

InChI

InChI=1S/C19H20IN3O3/c1-19(2,3)13-8-11(4-7-17(24)25)9-16(18(13)26)23-21-14-6-5-12(20)10-15(14)22-23/h5-6,8-10,26H,4,7H2,1-3H3,(H,24,25)