[4-[5-Bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1S,2S)-1,2-diphenylethane-1,2-diamine

Catalog Number	ACM944450468-1
CAS	944450-46-8
Synonyms	RuCl2[(S)-dm-segphos(regR)][(S,S)-dpen]
Molecular Weight	1107
Molecular Formula	C60H60Cl2N2O4P2Ru
Canonical SMILES	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.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
InChI	InChI=1S/C46H44O4P2.C14H16N2.2ClH.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;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h9-24H,25-26H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;+2/p-2/t;13-,14-;/m0/s1
InChI Key	FOEKPXQPRAIJRW-LISIALKWSA-L
Appearance	Powder
Exact Mass	1106.244878
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isomeric SMILES	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.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
Monoisotopic Mass	1106.244878
Rotatable Bond Count	10
Topological Polar Surface Area	89 Ų