ethyl 4,4-dicyano-3-(4-cyanophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate

Systemtic Name: ethyl 4,4-dicyano-3-(4-cyanophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Openeye Name: ethyl 4,4-dicyano-3-(4-cyanophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate CAS Name: 4,4-dicyano-3-(4-cyanophenyl)-2-triphenylphosphoranylidenebutanoic acid ethyl ester IUPAC Name: ethyl 4,4-dicyano-3-(4-cyanophenyl)-2-(triphenyl-$l^{5}-phosphanylidene)butanoate Traditional Name: 4,4-dicyano-3-(4-cyanophenyl)-2-triphenylphosphoranylidene-butyric acid ethyl ester Formula: C33H26N3O2P MolecularWeight: 527.552201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=C(C=C4)C#N)C(C#N)C#N

Isomeric SMILES

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=C(C=C4)C#N)C(C#N)C#N

InChI

InChI=1S/C33H26N3O2P/c1-2-38-33(37)32(31(27(23-35)24-36)26-20-18-25(22-34)19-21-26)39(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-21,27,31H,2H2,1H3