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About This Item
Empirical Formula (Hill Notation):
C21H22N2O7S
CAS Number:
Molecular Weight:
446.47
Beilstein:
3881592
EC Number:
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
NACRES:
NA.23
form
powder
mp
260-262 °C (lit.)
SMILES string
COS([O-])(=O)=O.CCOc1ccc2[n+](C)c(\C=C\c3cccc(c3)[N+]([O-])=O)ccc2c1
InChI
1S/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1/b9-7+;
InChI key
ZXQHSPWBYMLHLB-BXTVWIJMSA-M
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Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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