methane; 2-(1-methyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoate

Systemtic Name: methane; 2-(1-methyl-6-phenylmethoxy-benzotriazol-1-ium-1-yl)ethanoate Openeye Name: 2-(6-benzyloxy-1-methyl-benzotriazol-1-ium-1-yl)acetate; methane CAS Name: methane; 2-(1-methyl-6-phenylmethoxy-1-benzotriazol-1-iumyl)acetate IUPAC Name: methane; 2-(1-methyl-6-phenylmethoxybenzotriazol-1-ium-1-yl)acetate Traditional Name: 2-(6-benzoxy-1-methyl-benzotriazol-1-ium-1-yl)acetate; methane Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3.CH4/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;1H4