2-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; propanoate

Systemtic Name: 2-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; propanoate Openeye Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; propanoate CAS Name: 2-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol; propanoate IUPAC Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; propanoate Traditional Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; propionate Formula: C19H21ClN3O3- MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[O-].CC(C)(C)C1=C(C(=CC=C1)N2N=C3C=CC(=CC3=N2)Cl)O

Isomeric SMILES

CCC(=O)[O-].CC(C)(C)C1=C(C(=CC=C1)N2N=C3C=CC(=CC3=N2)Cl)O

InChI

InChI=1S/C16H16ClN3O.C3H6O2/c1-16(2,3)11-5-4-6-14(15(11)21)20-18-12-8-7-10(17)9-13(12)19-20;1-2-3(4)5/h4-9,21H,1-3H3;2H2,1H3,(H,4,5)/p-1