2-(1-methyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1-methyl-benzotriazol-1-ium-1-yl)acetic acid CAS Name: 2-(1-methyl-6-phenylmethoxy-1-benzotriazol-1-iumyl)acetic acid IUPAC Name: 2-(1-methyl-6-phenylmethoxybenzotriazol-1-ium-1-yl)acetic acid Traditional Name: 2-(6-benzoxy-1-methyl-benzotriazol-1-ium-1-yl)acetic acid Formula: C16H16N3O3+ MolecularWeight: 298.31654

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=CC(=C2)OCC3=CC=CC=C3)N=N1)CC(=O)O

Isomeric SMILES

C[N+]1(C2=C(C=CC(=C2)OCC3=CC=CC=C3)N=N1)CC(=O)O

InChI

InChI=1S/C16H15N3O3/c1-19(10-16(20)21)15-9-13(7-8-14(15)17-18-19)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3/p+1