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

Systemtic Name: 1-iodanyloctyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-oxidanyl-phenyl]propanoate Openeye Name: 1-iodooctyl 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 1-iodooctyl ester IUPAC Name: 1-iodooctyl 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 1-iodooctyl ester Formula: C27H36IN3O3 MolecularWeight: 577.49751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C)I

Isomeric SMILES

CCCCCCCC(OC(=O)CCC1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)O)C(C)(C)C)I

InChI

InChI=1S/C27H36IN3O3/c1-5-6-7-8-9-14-24(28)34-25(32)16-15-19-17-20(27(2,3)4)26(33)23(18-19)31-29-21-12-10-11-13-22(21)30-31/h10-13,17-18,24,33H,5-9,14-16H2,1-4H3