bis(chloranyl)palladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphaniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphanium

Systemtic Name: bis(chloranyl)palladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphaniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphanium Openeye Name: dichloropalladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphaniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphonium CAS Name: dichloropalladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphiniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphonium IUPAC Name: dichloropalladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphaniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphanium Traditional Name: dichloropalladium; (2,4,6-tritert-butylphenyl)-[8-(2,4,6-tritert-butylphenyl)phosphiniumylidene-9-bicyclo[5.2.0]non-1(7)-enylidene]phosphonium Formula: C45H70Cl2P2Pd+2 MolecularWeight: 850.310822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[PH+]=C2C3=C(C2=[PH+]C4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C)CCCCC3)C(C)(C)C.Cl[Pd]Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[PH+]=C2C3=C(C2=[PH+]C4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C)CCCCC3)C(C)(C)C.Cl[Pd]Cl

InChI

InChI=1S/C45H68P2.2ClH.Pd/c1-40(2,3)28-24-32(42(7,8)9)38(33(25-28)43(10,11)12)46-36-30-22-20-19-21-23-31(30)37(36)47-39-34(44(13,14)15)26-29(41(4,5)6)27-35(39)45(16,17)18;;;/h24-27H,19-23H2,1-18H3;2*1H;/q;;;+2