4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-(triphenyl-$l^{5}-phosphanylidene)but-3-yn-2-one

Systemtic Name: 4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-(triphenyl-$l^{5}-phosphanylidene)but-3-yn-2-one Openeye Name: 4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-(triphenyl-$l^{5}-phosphanylidene)but-3-yn-2-one CAS Name: 4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-triphenylphosphoranylidene-3-butyn-2-one IUPAC Name: 4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-(triphenyl-$l^{5}-phosphanylidene)but-3-yn-2-one Traditional Name: 4-(4-methoxyphenyl)-1-(4-nitrophenyl)-1-triphenylphosphoranylidene-but-3-yn-2-one Formula: C35H26NO4P MolecularWeight: 555.559001

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C#CC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H26NO4P/c1-40-30-24-17-27(18-25-30)19-26-34(37)35(28-20-22-29(23-21-28)36(38)39)41(31-11-5-2-6-12-31,32-13-7-3-8-14-32)33-15-9-4-10-16-33/h2-18,20-25H,1H3