phenyl 2-(3-chloranylpyridin-1-ium-1-yl)ethanoate; tetraphenylboranuide

Systemtic Name: phenyl 2-(3-chloranylpyridin-1-ium-1-yl)ethanoate; tetraphenylboranuide Openeye Name: phenyl 2-(3-chloropyridin-1-ium-1-yl)acetate; tetraphenylboranuide CAS Name: 2-(3-chloro-1-pyridin-1-iumyl)acetic acid phenyl ester; tetraphenylboranuide IUPAC Name: phenyl 2-(3-chloropyridin-1-ium-1-yl)acetate; tetraphenylboranuide Traditional Name: 2-(3-chloropyridin-1-ium-1-yl)acetic acid phenyl ester; tetraphenylboranuide Formula: C37H31BClNO2 MolecularWeight: 567.91154

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)OC(=O)C[N+]2=CC=CC(=C2)Cl

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)OC(=O)C[N+]2=CC=CC(=C2)Cl

InChI

InChI=1S/C24H20B.C13H11ClNO2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;14-11-5-4-8-15(9-11)10-13(16)17-12-6-2-1-3-7-12/h1-20H;1-9H,10H2/q-1;+1