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(SP-5-32)-Carbonyl[[(1R,1''R)-3,3''-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[2'-(2,6-difluorophenyl)[1,1'-binaphthalen]-2-olato-κO]](2-)]ruthenium

Catalog Number ACM1445086781
CAS 1445086-78-1
Synonyms Carbon monoxide;1-[2-(2,6-difluorophenyl)naphthalen-1-yl]-3-[[2-[[4-[2-(2,6-difluorophenyl)naphthalen-1-yl]-3-oxidonaphthalen-2-yl]methylideneamino]cyclohexyl]iminomethyl]naphthalen-2-olate;ruthenium(2+)
Molecular Weight 1026
Molecular Formula C61H40F4N2O3Ru
Canonical SMILES [C-]#[O+].C1CCC(C(C1)N=CC2=CC3=CC=CC=C3C(=C2[O-])C4=C(C=CC5=CC=CC=C54)C6=C(C=CC=C6F)F)N=CC7=CC8=CC=CC=C8C(=C7[O-])C9=C(C=CC1=CC=CC=C19)C1=C(C=CC=C1F)F.[Ru+2]
InChI InChI=1S/C60H42F4N2O2.CO.Ru/c61-47-21-11-22-48(62)55(47)45-29-27-35-13-1-5-17-41(35)53(45)57-43-19-7-3-15-37(43)31-39(59(57)67)33-65-51-25-9-10-26-52(51)66-34-40-32-38-16-4-8-20-44(38)58(60(40)68)54-42-18-6-2-14-36(42)28-30-46(54)56-49(63)23-12-24-50(56)64;1-2;/h1-8,11-24,27-34,51-52,67-68H,9-10,25-26H2;/q;+2/p-2
InChI Key KQYQPDNZFSBATB-UHFFFAOYSA-L
Purity 97%
Complexity 1630
Covalently-Bonded Unit Count 3
Defined Atom Stereocenter Count 0
Exact Mass 1026.201846
Heavy Atom Count 71
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 0
Monoisotopic Mass 1026.201846
Rotatable Bond Count 4
Topological Polar Surface Area 71.8 Ų

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