2-(1,4-dimethyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1,4-dimethyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(6-benzyloxy-1,4-dimethyl-benzotriazol-1-ium-1-yl)acetic acid CAS Name: 2-(1,4-dimethyl-6-phenylmethoxy-1-benzotriazol-1-iumyl)acetic acid IUPAC Name: 2-(1,4-dimethyl-6-phenylmethoxybenzotriazol-1-ium-1-yl)acetic acid Traditional Name: 2-(6-benzoxy-1,4-dimethyl-benzotriazol-1-ium-1-yl)acetic acid Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=N[N+]2(C)CC(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC2=C1N=N[N+]2(C)CC(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O3/c1-12-8-14(23-11-13-6-4-3-5-7-13)9-15-17(12)18-19-20(15,2)10-16(21)22/h3-9H,10-11H2,1-2H3/p+1