ethyl 2-[2-phenyl-5-(triphenyl-$l^{5}-phosphanylidene)imidazol-4-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[2-phenyl-5-(triphenyl-$l^{5}-phosphanylidene)imidazol-4-yl]sulfanylbutanoate Openeye Name: ethyl 2-[2-phenyl-5-(triphenyl-$l^{5}-phosphanylidene)imidazol-4-yl]sulfanylbutanoate CAS Name: 2-[(2-phenyl-5-triphenylphosphoranylidene-4-imidazolyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[2-phenyl-5-(triphenyl-$l^{5}-phosphanylidene)imidazol-4-yl]sulfanylbutanoate Traditional Name: 2-[(2-phenyl-5-triphenylphosphoranylidene-imidazol-4-yl)thio]butyric acid ethyl ester Formula: C33H31N2O2PS MolecularWeight: 550.650201

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC(=NC1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC(=NC1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H31N2O2PS/c1-3-29(33(36)37-4-2)39-32-31(34-30(35-32)25-17-9-5-10-18-25)38(26-19-11-6-12-20-26,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29H,3-4H2,1-2H3