octyl 2-[3-(3-tert-butyl-5-chloranyl-6-oxidanyl-benzotriazol-4-yl)phenyl]propanoate

Systemtic Name: octyl 2-[3-(3-tert-butyl-5-chloranyl-6-oxidanyl-benzotriazol-4-yl)phenyl]propanoate Openeye Name: octyl 2-[3-(3-tert-butyl-5-chloro-6-hydroxy-benzotriazol-4-yl)phenyl]propanoate CAS Name: 2-[3-(3-tert-butyl-5-chloro-6-hydroxy-4-benzotriazolyl)phenyl]propanoic acid octyl ester IUPAC Name: octyl 2-[3-(3-tert-butyl-5-chloro-6-hydroxybenzotriazol-4-yl)phenyl]propanoate Traditional Name: 2-[3-(3-tert-butyl-5-chloro-6-hydroxy-benzotriazol-4-yl)phenyl]propionic acid octyl ester Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(C)C1=CC=CC(=C1)C2=C3C(=CC(=C2Cl)O)N=NN3C(C)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)C(C)C1=CC=CC(=C1)C2=C3C(=CC(=C2Cl)O)N=NN3C(C)(C)C

InChI

InChI=1S/C27H36ClN3O3/c1-6-7-8-9-10-11-15-34-26(33)18(2)19-13-12-14-20(16-19)23-24(28)22(32)17-21-25(23)31(30-29-21)27(3,4)5/h12-14,16-18,32H,6-11,15H2,1-5H3