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

Systemtic Name: 4-methylhexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate Openeye Name: 4-methylhexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propanoate CAS Name: 3-[3-(2-benzotriazolyl)-5-tert-butyl-4-hydroxyphenyl]propanoic acid 4-methylhexyl ester IUPAC Name: 4-methylhexyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate Traditional Name: 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxy-phenyl]propionic acid 4-methylhexyl ester Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

Isomeric SMILES

CCC(C)CCCOC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C

InChI

InChI=1S/C26H35N3O3/c1-6-18(2)10-9-15-32-24(30)14-13-19-16-20(26(3,4)5)25(31)23(17-19)29-27-21-11-7-8-12-22(21)28-29/h7-8,11-12,16-18,31H,6,9-10,13-15H2,1-5H3