57328-22-0
四叔丁基酞菁镍
Name
四叔丁基酞菁镍
pro_formula
C48 H48 N8 Ni
pro_molWeight
795.656
1Identification
【Name】
四叔丁基酞菁镍
【CAS】
【MDL】
MFCD00210372
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C48 H48 N8 Ni
【pro_molWeight】
795.656
【Inchi】
InChI=1S/C48H48N8.Ni/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2
【InChIKey】
InChIKey=IFTQAKNPXSJXGF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc\2c(c1)/c/3n/c-4n/c(n\c5c6ccc(cc6c/7n5[Ni]n3/c2n\c-8n/c(n7)/c9c8cc(cc9)C(C)(C)C)C(C)(C)C)/c1c4ccc(c1)C(C)(C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
四叔丁基酞菁镍.cml
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