2-[[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]-(trimethylazaniumyl)methyl]pentanoyloxy-trimethyl-azanium diiodide

Systemtic Name: 2-[[3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-phenyl]-(trimethylazaniumyl)methyl]pentanoyloxy-trimethyl-azanium diiodide Openeye Name: 2-[[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]-(trimethylammonio)methyl]pentanoyloxy-trimethyl-ammonium diiodide CAS Name: [1-[3-tert-butyl-5-(5-chloro-2-benzotriazolyl)-4-hydroxyphenyl]-2-[oxo-(trimethylammonio)oxymethyl]pentyl]-trimethylammonium diiodide IUPAC Name: 2-[[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]-(trimethylazaniumyl)methyl]pentanoyloxy-trimethylazanium diiodide Traditional Name: 2-[[3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-phenyl]-(trimethylammonio)methyl]pentanoyloxy-trimethyl-ammonium diiodide Formula: C28H42ClI2N5O3 MolecularWeight: 785.92672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C)[N+](C)(C)C)C(=O)O[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CCCC(C(C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C)[N+](C)(C)C)C(=O)O[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C28H41ClN5O3.2HI/c1-11-12-20(27(36)37-34(8,9)10)25(33(5,6)7)18-15-21(28(2,3)4)26(35)24(16-18)32-30-22-14-13-19(29)17-23(22)31-32;;/h13-17,20,25H,11-12H2,1-10H3;2*1H/q+1;;/p-1