4-[2-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]propan-2-yl]benzoic acid

Systemtic Name: 4-[2-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-2-oxidanyl-phenyl]propan-2-yl]benzoic acid Openeye Name: 4-[1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methyl-phenyl]-1-methyl-ethyl]benzoic acid CAS Name: 4-[2-[3-(5-chloro-2-benzotriazolyl)-2-hydroxy-5-methylphenyl]propan-2-yl]benzoic acid IUPAC Name: 4-[2-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methylphenyl]propan-2-yl]benzoic acid Traditional Name: 4-[1-[3-(5-chlorobenzotriazol-2-yl)-2-hydroxy-5-methyl-phenyl]-1-methyl-ethyl]benzoic acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H20ClN3O3/c1-13-10-17(23(2,3)15-6-4-14(5-7-15)22(29)30)21(28)20(11-13)27-25-18-9-8-16(24)12-19(18)26-27/h4-12,28H,1-3H3,(H,29,30)