71799-43-4
酸性棕 354
Name
酸性棕 354
pro_formula
C30 H20 N8 O12 S2 . 2 Na
pro_molWeight
794.644
1Identification
【Name】
酸性棕 354
【CAS】
【MDL】
MFCD00800392
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C30 H20 N8 O12 S2 . 2 Na
【pro_molWeight】
794.644
【Inchi】
InChI=1S/C30H22N8O12S2.2Na/c39-26-14-13-25(35-33-19-5-1-17(2-6-19)31-23-11-9-21(37(41)42)15-27(23)51(45,46)47)30(40)29(26)36-34-20-7-3-18(4-8-20)32-24-12-10-22(38(43)44)16-28(24)52(48,49)50;;/h1-16,31-32,39-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b35-33+,36-34+;;
【InChIKey】
InChIKey=GYVPMHHWPSYINH-UUIOKUIJSA-L
【SMILES】
c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])/N=N/c3ccc(c(c3O)/N=N/c4ccc(cc4)Nc5ccc(cc5S(=O)(=O)[O-])[N+](=O)[O-])O.[Na+].[Na+]
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:20
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
酸性棕 354.cml
quick_release
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