41636-35-5
2,3,7,8,12,13,17,18-八乙基-21H,23H-卟吩钌(II)羰基
Name
2,3,7,8,12,13,17,18-八乙基-21H,23H-卟吩钌(II)羰基
pro_formula
C36 H44 N4 Ru . C O
pro_molWeight
661.852
1Identification
【Name】
2,3,7,8,12,13,17,18-八乙基-21H,23H-卟吩钌(II)羰基
【CAS】
【MDL】
MFCD00135460
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C36 H44 N4 Ru . C O
【pro_molWeight】
661.852
【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/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;
【InChIKey】
InChIKey=CRTFSNIGJRIMPF-YAJYDHHFSA-N
【SMILES】
CCc1/c/2c/c3n/c(c\c4c(c(c/5n4[Ru]n2/c(/c1CC)c\c6n/c(c5)/C(=C6CC)CC)CC)CC)/C(=C3CC)CC.[C-]#[O+]
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
【secure_infosecure_symbol】
【secure_signal_word】
【secure_risk_stmt】
【secure_cautionary_stmt】
【secure_damage_code】
【secure_risk_disclosure_stmt】
【secure_security_stmt】
【secure_wgk_germany】
3
4CMLFile
2,3,7,8,12,13,17,18-八乙基-21H,23H-卟吩钌(II)羰基.cml
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