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

Systemtic Name: 3-[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-2-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-2-hydroxy-phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-5-(5-chloro-2-benzotriazolyl)-2-hydroxyphenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-2-hydroxyphenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-2-hydroxy-phenyl]propionic acid Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c1-19(2,3)14-10-13(8-11(18(14)26)4-7-17(24)25)23-21-15-6-5-12(20)9-16(15)22-23/h5-6,8-10,26H,4,7H2,1-3H3,(H,24,25)