ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)ethanoate chloride

Systemtic Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)ethanoate chloride Openeye Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)acetate chloride CAS Name: 2-(3-hexadecyl-1-benzotriazol-1-iumyl)acetic acid ethyl ester chloride IUPAC Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-cetylbenzotriazol-1-ium-1-yl)acetic acid ethyl ester chloride Formula: C26H44ClN3O2 MolecularWeight: 466.09946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=N1)CC(=O)OCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=N1)CC(=O)OCC.[Cl-]

InChI

InChI=1S/C26H44N3O2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-24-20-17-18-21-25(24)29(27-28)23-26(30)31-4-2;/h17-18,20-21H,3-16,19,22-23H2,1-2H3;1H/q+1;/p-1