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About This Item
Empirical Formula (Hill Notation):
C21H13Br4NaO5S
CAS Number:
Molecular Weight:
720.00
EC Number:
263-657-4
UNSPSC Code:
12171500
MDL number:
grade
ACS reagent
visual transition interval
3.8-5.4, yellow to blue
mp
230 °C (dec.) (lit.)
solubility
H2O: clarity passes test
SMILES string
[Na+].Cc1c(Br)c(O)c(Br)cc1\C(=C2\C=C(Br)C(=O)C(Br)=C2C)c3ccccc3S([O-])(=O)=O
InChI
1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21;/h3-8,26-27H,1-2H3;/q;+1/p-1
InChI key
HEFSGAHJDGZCHA-UHFFFAOYSA-M
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