dimethyl 2-diphenylphosphinothioyl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylate

Systemtic Name: dimethyl 2-diphenylphosphinothioyl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylate Openeye Name: dimethyl 2-diphenylphosphinothioyl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylate CAS Name: 2-diphenylphosphinothioyl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-diphenylphosphinothioyl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylate Traditional Name: 2-diphenylthiophosphoryl-3-methyl-7,8-diphenyl-1-phosphabicyclo[2.2.2]octa-2,5,7-triene-5,6-dicarboxylic acid dimethyl ester Formula: C36H30O4P2S MolecularWeight: 620.633522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(P2C(=C(C1C(=C2C(=O)OC)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)P(=S)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(P2C(=C(C1C(=C2C(=O)OC)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)P(=S)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H30O4P2S/c1-24-29-30(25-16-8-4-9-17-25)32(26-18-10-5-11-19-26)41(33(35(38)40-3)31(29)34(37)39-2)36(24)42(43,27-20-12-6-13-21-27)28-22-14-7-15-23-28/h4-23,29H,1-3H3