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

Systemtic Name: 3-[3-(5-bromanylbenzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(5-bromobenzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-(5-bromo-2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-(5-bromobenzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-(5-bromobenzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionic acid Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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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)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3/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)