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

Systemtic Name: 3-[3-(5-chloranylbenzotriazol-2-yl)-5-methyl-4-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]propanoic acid CAS Name: 3-[3-(5-chloro-2-benzotriazolyl)-4-hydroxy-5-methylphenyl]propanoic acid IUPAC Name: 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-methylphenyl]propanoic acid Traditional Name: 3-[3-(5-chlorobenzotriazol-2-yl)-4-hydroxy-5-methyl-phenyl]propionic acid Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3/c1-9-6-10(2-5-15(21)22)7-14(16(9)23)20-18-12-4-3-11(17)8-13(12)19-20/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)