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

Systemtic Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)acetate CAS Name: 2-(3-hexadecyl-1-benzotriazol-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-hexadecylbenzotriazol-1-ium-1-yl)acetate Traditional Name: 2-(3-cetylbenzotriazol-1-ium-1-yl)acetic acid ethyl ester Formula: C26H44N3O2+ MolecularWeight: 430.64646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N3O2/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/q+1