2-(5-chloranyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-(2-methylheptan-2-yl)phenol

Systemtic Name: 2-(5-chloranyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-(2-methylheptan-2-yl)phenol Openeye Name: 2-(5-chloro-1-oxido-benzotriazol-1-ium-2-yl)-4-(1,1-dimethylhexyl)phenol CAS Name: 2-(5-chloro-1-oxido-2-benzotriazol-1-iumyl)-4-(2-methylheptan-2-yl)phenol IUPAC Name: 2-(5-chloro-1-oxidobenzotriazol-1-ium-2-yl)-4-(2-methylheptan-2-yl)phenol Traditional Name: 2-(5-chloro-1-oxido-benzotriazol-1-ium-2-yl)-4-(1,1-dimethylhexyl)phenol Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=C(C=CC3=[N+]2[O-])Cl

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=C(C=CC3=[N+]2[O-])Cl

InChI

InChI=1S/C20H24ClN3O2/c1-4-5-6-11-20(2,3)14-7-10-19(25)18(12-14)23-22-16-13-15(21)8-9-17(16)24(23)26/h7-10,12-13,25H,4-6,11H2,1-3H3