2-(benzotriazol-2-ylmethyl)-1-(2-butyl-3,4,5,6-tetramethyl-phenoxy)benzotriazol-1-ium

Systemtic Name: 2-(benzotriazol-2-ylmethyl)-1-(2-butyl-3,4,5,6-tetramethyl-phenoxy)benzotriazol-1-ium Openeye Name: 2-(benzotriazol-2-ylmethyl)-1-(2-butyl-3,4,5,6-tetramethyl-phenoxy)benzotriazol-1-ium CAS Name: 2-(2-benzotriazolylmethyl)-1-(2-butyl-3,4,5,6-tetramethylphenoxy)benzotriazol-1-ium IUPAC Name: 2-(benzotriazol-2-ylmethyl)-1-(2-butyl-3,4,5,6-tetramethylphenoxy)benzotriazol-1-ium Traditional Name: 2-(benzotriazol-2-ylmethyl)-1-(2-butyl-3,4,5,6-tetramethyl-phenoxy)benzotriazol-1-ium Formula: C27H31N6O+ MolecularWeight: 455.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1O[N+]2=C3C=CC=CC3=NN2CN4N=C5C=CC=CC5=N4)C)C)C)C

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1O[N+]2=C3C=CC=CC3=NN2CN4N=C5C=CC=CC5=N4)C)C)C)C

InChI

InChI=1S/C27H31N6O/c1-6-7-12-22-20(4)18(2)19(3)21(5)27(22)34-33-26-16-11-10-15-25(26)30-32(33)17-31-28-23-13-8-9-14-24(23)29-31/h8-11,13-16H,6-7,12,17H2,1-5H3/q+1