Diacetato{(S)-(+)-5,5'-bis[di(3,5-di-t-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(S)-dtbm-segphos]

Catalog Number	ACM1025476849-1
CAS	1025476-84-9
Synonyms	[4-[5-Bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;ruthenium(2+);diacetate
Molecular Weight	1398.7
Molecular Formula	C78H106O12P2Ru
Canonical SMILES	CC(=O)[O-].CC(=O)[O-].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.[Ru+2]
InChI	InChI=1S/C74H100O8P2.2C2H4O2.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;2*1-2(3)4;/h29-40H,41-42H2,1-28H3;2*1H3,(H,3,4);/q;+2/p-2
InChI Key	TZSINPYBMMRUEE-UHFFFAOYSA-L
Purity	95%+
Appearance	Solid
Exact Mass	1398.620293
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1398.620293
Rotatable Bond Count	19
Topological Polar Surface Area	154 Ų