Chloro{(S)-(+)-5,5'-bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole}(p-cymene)ruthenium(II)chloride[RuCl(p-cymene) ((S)-dtbm-segphos)]Cl

Catalog Number	ACM944451336-1
CAS	944451-33-6
Molecular Weight	1485.7
Molecular Formula	C84H114Cl2O8P2Ru
Canonical SMILES	CC1=CC=C(C=C1)C(C)C.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)P(C2=C(C3=C(C=C2)OCO3)C4=C(C=CC5=C4OCO5)P(C6=CC(=C(C(=C6)C(C)(C)C)OC)C(C)(C)C)C7=CC(=C(C(=C7)C(C)(C)C)OC)C(C)(C)C)C8=CC(=C(C(=C8)C(C)(C)C)OC)C(C)(C)C.Cl[Ru]Cl
InChI	InChI=1S/C74H100O8P2.C10H14.2ClH.Ru/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;1-8(2)10-6-4-9(3)5-7-10;/h29-40H,41-42H2,1-28H3;4-8H,1-3H3;2*1H;/q;+2/p-2
InChI Key	MYYXUILRYSITRR-UHFFFAOYSA-L
Melting Point	>100 °C
Purity	95%
Appearance	Powder
Exact Mass	1484.64094
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1484.64094
Rotatable Bond Count	20
Topological Polar Surface Area	73.8 Ų