2-(5-chloranyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-methyl-6-(1-phenylethyl)phenol

Systemtic Name: 2-(5-chloranyl-1-oxidanidyl-benzotriazol-1-ium-2-yl)-4-methyl-6-(1-phenylethyl)phenol Openeye Name: 2-(5-chloro-1-oxido-benzotriazol-1-ium-2-yl)-4-methyl-6-(1-phenylethyl)phenol CAS Name: 2-(5-chloro-1-oxido-2-benzotriazol-1-iumyl)-4-methyl-6-(1-phenylethyl)phenol IUPAC Name: 2-(5-chloro-1-oxidobenzotriazol-1-ium-2-yl)-4-methyl-6-(1-phenylethyl)phenol Traditional Name: 2-(5-chloro-1-oxido-benzotriazol-1-ium-2-yl)-4-methyl-6-(1-phenylethyl)phenol Formula: C21H18ClN3O2 MolecularWeight: 379.83952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2N=C3C=C(C=CC3=[N+]2[O-])Cl)O)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C(=C1)N2N=C3C=C(C=CC3=[N+]2[O-])Cl)O)C(C)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2/c1-13-10-17(14(2)15-6-4-3-5-7-15)21(26)20(11-13)24-23-18-12-16(22)8-9-19(18)25(24)27/h3-12,14,26H,1-2H3