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150849-52-8 | 2H-Tetrazolium, 5-(2,4-disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-, inner salt, sodium salt (1:1)
CAS No: 150849-52-8 Catalog No: AG001MWC MDL No:MFCD01075079
Product Description
Catalog Number:
AG001MWC
Chemical Name:
2H-Tetrazolium, 5-(2,4-disulfophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)-, inner salt, sodium salt (1:1)
CAS Number:
150849-52-8
Molecular Formula:
C19H12IN5NaO8S2+
Molecular Weight:
652.3515
MDL Number:
MFCD01075079
IUPAC Name:
sodium;4-[2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-3-ium-5-yl]benzene-1,3-disulfonate
InChI:
InChI=1S/C19H12IN5O8S2.Na/c20-12-1-3-13(4-2-12)23-21-19(22-24(23)14-5-7-15(8-6-14)25(26)27)17-10-9-16(34(28,29)30)11-18(17)35(31,32)33;/h1-11H,(H-,28,29,30,31,32,33);/q;+1/p-1
InChI Key:
JUJBNYBVVQSIOU-UHFFFAOYSA-M
SMILES:
Ic1ccc(cc1)n1nc(n[n+]1c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1S(=O)(=O)[O-])S(=O)(=O)O.[Na+]
EC Number:
604-753-1
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.899g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
651.338g/mol
Monoisotopic Mass:
650.899g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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