Acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium

Catalog Number	ACM374067499-1
CAS	374067-49-9
Structure
Synonyms	(S)-Ru(OAc)2(DM-BINAP)
Molecular Weight	956.1
Molecular Formula	C56H56O4P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(=O)O.CC(=O)O.[Ru]
InChI	InChI=1S/C52H48P2.2C2H4O2.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;2*1-2(3)4;/h9-32H,1-8H3;2*1H3,(H,3,4);
InChI Key	HDUAMHMUQGCXCT-UHFFFAOYSA-N
Melting Point	>100 °C
Appearance	Powder
Exact Mass	956.269725
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Monoisotopic Mass	956.269725
Rotatable Bond Count	7
Topological Polar Surface Area	74.6 Ų