ethyl 2-(2,3,4,5-tetraphenylpyrazol-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2,3,4,5-tetraphenylpyrazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2,3,4,5-tetraphenylpyrazol-1-ium-1-yl)acetate CAS Name: 2-(2,3,4,5-tetraphenyl-1-pyrazol-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2,3,4,5-tetraphenylpyrazol-1-ium-1-yl)acetate Traditional Name: 2-(2,3,4,5-tetraphenylpyrazol-1-ium-1-yl)acetic acid ethyl ester Formula: C31H27N2O2+ MolecularWeight: 459.55828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C[N+]1=C(C(=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27N2O2/c1-2-35-28(34)23-32-30(25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)31(26-19-11-5-12-20-26)33(32)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3/q+1