3-methoxy-5-phenyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)pent-4-ynenitrile

Systemtic Name: 3-methoxy-5-phenyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)pent-4-ynenitrile Openeye Name: 3-methoxy-5-phenyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)pent-4-ynenitrile CAS Name: 3-methoxy-5-phenyl-3-(trifluoromethyl)-2-triphenylphosphoranylidene-4-pentynenitrile IUPAC Name: 3-methoxy-5-phenyl-3-(trifluoromethyl)-2-(triphenyl-$l^{5}-phosphanylidene)pent-4-ynenitrile Traditional Name: 3-methoxy-5-phenyl-3-(trifluoromethyl)-2-triphenylphosphoranylidene-pent-4-ynenitrile Formula: C31H23F3NOP MolecularWeight: 513.489391

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Descriptors Computed from Structure

Canonical SMILES:

COC(C#CC1=CC=CC=C1)(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C(F)(F)F

Isomeric SMILES

COC(C#CC1=CC=CC=C1)(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N)C(F)(F)F

InChI

InChI=1S/C31H23F3NOP/c1-36-30(31(32,33)34,23-22-25-14-6-2-7-15-25)29(24-35)37(26-16-8-3-9-17-26,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21H,1H3