Home > Products > Screening Compounds P31635 > Chloro[(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride

Chloro[(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride

Catalog Number: EVT-3568691

CAS Number: 944451-30-3

Molecular Formula: C56H58Cl2O4P2Ru

Molecular Weight: 1029.0 g/mol

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Product Introduction

Properties

CAS Number

944451-30-3

Product Name

Chloro[(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole](p-cymene)ruthenium(II) Chloride

IUPAC Name

[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene

Molecular Formula

C56H58Cl2O4P2Ru

Molecular Weight

1029.0 g/mol

InChI

InChI=1S/C46H44O4P2.C10H14.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-8(2)10-6-4-9(3)5-7-10;;;/h9-24H,25-26H2,1-8H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2

InChI Key

LLNJPFQWQJQPEH-UHFFFAOYSA-L

SMILES

CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl

Canonical SMILES

CC1=CC=C(C=C1)C(C)C.CC1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.Cl[Ru]Cl

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