6459-70-7
ACID YELLOW 117
Name
ACID YELLOW 117
Formula
C39 H30 N8 O8 S2 . 2 Na
MolWeight
848.826
1Identification
【Name】
ACID YELLOW 117
【CAS】
【MDL】
MFCD09952599
【English Synonyms】
【Formula】
C39 H30 N8 O8 S2 . 2 Na
【MolWeight】
848.826
【Inchi】
InChI=1S/C39H32N8O8S2.2Na/c1-24-36(38(48)46(44-24)31-16-20-33(21-17-31)56(50,51)52)42-40-29-12-8-27(9-13-29)35(26-6-4-3-5-7-26)28-10-14-30(15-11-28)41-43-37-25(2)45-47(39(37)49)32-18-22-34(23-19-32)57(53,54)55;;/h3-23,35-37H,1-2H3,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2/b42-40+,43-41+;;
【InChIKey】
InChIKey=OUHCDUPQRPAOCX-DZZZRWBXSA-L
【SMILES】
CC1=NN(C(=O)C1/N=N/c2ccc(cc2)C(c3ccccc3)c4ccc(cc4)/N=N/C5C(=NN(C5=O)c6ccc(cc6)S(=O)(=O)[O-])C)c7ccc(cc7)S(=O)(=O)[O-].[Na+].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:16
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ACID YELLOW 117.cml
Quick Release
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Catalog No:92243 nullnull
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AK Scientific, Inc.
Catalog No:T187 nullnull
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