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C20H13N6NaO11S2CAS 193149-74-5600.46 g/mol

Open in Covalent MOL file
ON+OO−N+NNNN+OO−SOOO−SOOO−Na+
EtherNitroSulfonic acid

Properties

Molecular formula
C20H13N6NaO11S2
Molar mass
600.46 g/mol
Exact mass
599.9981 Da
logP
-2.15Crippen estimate
Polar surface area
244.5 Ų
H-bond donors / acceptors
0 / 13
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
193149-74-5
SMILES
COC1=C(C=CC(=C1)[N+](=O)[O-])[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
InChIKey
VSIVTUIKYVGDCX-UHFFFAOYSA-M
InChI
InChI=1S/C20H14N6O11S2.Na/c1-37-18-10-14(26(29)30)6-9-17(18)24-22-20(21-23(24)12-2-4-13(5-3-12)25(27)28)16-8-7-15(38(31,32)33)11-19(16)39(34,35)36;/h2-11H,1H3,(H-,31,32,33,34,35,36);/q;+1/p-1

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Names and synonyms

1 names
  • Sodium 4-(3-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenyl)-2H-tetrazol-3-ium-5-yl)benzene-1,3-disulfonate

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Similar compounds

5-(2,4-Disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-2H-tetrazolium inner salt sodium salt (1:1)150849-52-867 % similar Tetranitro blue tetrazolium chloride1184-43-658 % similar Nitro Blue Tetrazolium chloride298-83-955 % similar 2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenylamino)carbonyl]-2H-tetrazolium inner salt sodium salt (1:1)111072-31-242 % similar Sodium 2-amino-5-nitrobenzenesulfonate30693-53-939 % similar Nitrol S127-68-438 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-138 % similar Blue tetrazolium1871-22-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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