(SP-4-2)-[2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-κC]chloro(tricyclohexylphosphine)palladium
CAS Registry Number®
502964-53-6
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CAS Name
(SP-4-2)-[2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-κC]chloro(tricyclohexylphosphine)palladiumMolecular Formula
C60H95ClO3P2PdCite this Page
(SP-4-2)-[2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-κC]chloro(tricyclohexylphosphine)palladium. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=502964-53-6 (retrieved ) (CAS RN: 502964-53-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C42H62O3P.C18H33P.ClH.Pd/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h19-23,25-27H,1-18H3;16-18H,1-15H2;1H;/q-1;;;+2/p-1
InChIKey
InChIKey=MPRAQMNJJUIJNG-UHFFFAOYSA-M
SMILES
[P]([Pd+2]1([Cl-])[P](OC2=C(C(C)(C)C)C=C(C(C)(C)C)C=C2)(OC3=C(C(C)(C)C)C=C(C(C)(C)C)C=C3)OC=4[C-]1=CC(C(C)(C)C)=CC4C(C)(C)C)(C5CCCCC5)(C6CCCCC6)C7CCCCC7
Canonical SMILES
[Cl-][Pd+2]1([C-]=2C=C(C=C(C2O[P]1(OC3=CC=C(C=C3C(C)(C)C)C(C)(C)C)OC4=CC=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P](C5CCCCC5)(C6CCCCC6)C7CCCCC7
Other Names for this Substance
- Palladium, [2-[[bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-κC]chloro(tricyclohexylphosphine)-, (SP-4-2)-
- (SP-4-2)-[2-[[Bis[2,4-bis(1,1-dimethylethyl)phenoxy]phosphino-κP]oxy]-3,5-bis(1,1-dimethylethyl)phenyl-κC]chloro(tricyclohexylphosphine)palladium
