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Dichloro(1,3-di-i-propylphenylimidazolidin-2-ylidene){2-[(ethoxy-2-oxoethylidene)amino]benzylidene} ruthenium(II) HeatMet SIPr

Catalog Number ACM2097273884-1
CAS 2097273-88-4
Synonyms 1,3-Bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydro-2H-imidazol-1-ium-2-ide;dichloro-[[2-[(2-ethoxy-2-oxoethylidene)amino]phenyl]methylidene]ruthenium
Molecular Weight 751.8
Molecular Formula C38H49Cl2N3O2Ru
Canonical SMILES CCOC(=O)C=NC1=CC=CC=C1C=[Ru](Cl)Cl.CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=[C-]2)C3=C(C=CC=C3C(C)C)C(C)C
InChI InChI=1S/C27H38N2.C11H11NO2.2ClH.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-14-11(13)8-12-10-7-5-4-6-9(10)2;/h9-14,18-21H,15-16H2,1-8H3;2,4-8H,3H2,1H3;2*1H;/q;+2/p-2
InChI Key IJGFNGZGRUSZKX-UHFFFAOYSA-L
Appearance Dark violet powder
Complexity 945
Covalently-Bonded Unit Count 2
Defined Atom Stereocenter Count 0
Exact Mass 751.224524
Heavy Atom Count 46
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
Monoisotopic Mass 751.224524
Rotatable Bond Count 11
Topological Polar Surface Area 44.9 Ų

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