dimethyl but-2-ynedioate; palladium; triphenylphosphanium

Systemtic Name: dimethyl but-2-ynedioate; palladium; triphenylphosphanium Openeye Name: dimethyl but-2-ynedioate; palladium; triphenylphosphonium CAS Name: 2-butynedioic acid dimethyl ester; palladium; triphenylphosphonium IUPAC Name: dimethyl but-2-ynedioate; palladium; triphenylphosphanium Traditional Name: but-2-ynedioic acid dimethyl ester; palladium; triphenylphosphonium Formula: C42H38O4P2Pd+2 MolecularWeight: 775.116242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd]

Isomeric SMILES

COC(=O)C#CC(=O)OC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Pd]

InChI

InChI=1S/2C18H15P.C6H6O4.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-5(7)3-4-6(8)10-2;/h2*1-15H;1-2H3;/p+2