2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine ruthenium(II) carbonyl

Catalog Number	ACM41636355-1
CAS	41636-35-5
Structure
Synonyms	Carbon monoxide;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;ruthenium(2+)
IUPAC Name	carbon monoxide;2,3,7,8,12,13,17,18-octaethyl-1,4,5,10,11,14,15,20,21,23-decahydroporphyrin-22,24-diide;ruthenium(2+);
Molecular Weight	661.8
Molecular Formula	C37H44N4ORu
Canonical SMILES	CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[C-]#[O+].[Ru+2]
InChI	InChI=1S/C36H44N4.CO.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key	CRTFSNIGJRIMPF-UHFFFAOYSA-N
Complexity	797
Covalently-Bonded Unit Count	3
Exact Mass	662.255852
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Monoisotopic Mass	662.255852
Rotatable Bond Count	8
Topological Polar Surface Area	27.7 Ų