methyl 3-oxidanylidene-4-pyridin-1-ium-1-yl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate

Systemtic Name: methyl 3-oxidanylidene-4-pyridin-1-ium-1-yl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Openeye Name: methyl 3-oxo-4-pyridin-1-ium-1-yl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate CAS Name: 3-oxo-4-(1-pyridin-1-iumyl)-2-triphenylphosphoranylidenebutanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-pyridin-1-ium-1-yl-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Traditional Name: 3-keto-4-pyridin-1-ium-1-yl-2-triphenylphosphoranylidene-butyric acid methyl ester Formula: C28H25NO3P+ MolecularWeight: 454.476761

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C[N+]4=CC=CC=C4

Isomeric SMILES

COC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C[N+]4=CC=CC=C4

InChI

InChI=1S/C28H25NO3P/c1-32-28(31)27(26(30)22-29-20-12-5-13-21-29)33(23-14-6-2-7-15-23,24-16-8-3-9-17-24)25-18-10-4-11-19-25/h2-21H,22H2,1H3/q+1