ethyl 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphinin-4-ium-3-carboxylate

Systemtic Name: ethyl 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphinin-4-ium-3-carboxylate Openeye Name: ethyl 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphinin-4-ium-3-carboxylate CAS Name: 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphorin-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphinin-4-ium-3-carboxylate Traditional Name: 6-methyl-1,4,4-triphenyl-5,6-dihydro-1,2,4-diazaphosphorin-4-ium-3-carboxylic acid ethyl ester Formula: C25H26N2O2P+ MolecularWeight: 417.459901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C[P+]1(C2=CC=CC=C2)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(C[P+]1(C2=CC=CC=C2)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2P/c1-3-29-25(28)24-26-27(21-13-7-4-8-14-21)20(2)19-30(24,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20H,3,19H2,1-2H3/q+1