diethyl 2,5-bis[(triphenyl-$l^{5}-phosphanylidene)amino]thiophene-3,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[(triphenyl-$l^{5}-phosphanylidene)amino]thiophene-3,4-dicarboxylate Openeye Name: diethyl 2,5-bis[(triphenyl-$l^{5}-phosphanylidene)amino]thiophene-3,4-dicarboxylate CAS Name: 2,5-bis(triphenylphosphoranylideneamino)thiophene-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[(triphenyl-$l^{5}-phosphanylidene)amino]thiophene-3,4-dicarboxylate Traditional Name: 2,5-bis(triphenylphosphoranylideneamino)thiophene-3,4-dicarboxylic acid diethyl ester Formula: C46H40N2O4P2S MolecularWeight: 778.833322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C(=O)OCC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C(=O)OCC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C46H40N2O4P2S/c1-3-51-45(49)41-42(46(50)52-4-2)44(48-54(38-29-17-8-18-30-38,39-31-19-9-20-32-39)40-33-21-10-22-34-40)55-43(41)47-53(35-23-11-5-12-24-35,36-25-13-6-14-26-36)37-27-15-7-16-28-37/h5-34H,3-4H2,1-2H3