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85391-96-4 | 1,3,5-Triazine-2,4,6-trisulfonicacid, sodium salt (1:3)
CAS No: 85391-96-4 Catalog No: AG004OHG MDL No:
Product Description
Catalog Number:
AG004OHG
Chemical Name:
1,3,5-Triazine-2,4,6-trisulfonicacid, sodium salt (1:3)
CAS Number:
85391-96-4
Molecular Formula:
C3N3Na3O9S3
Molecular Weight:
387.2111
IUPAC Name:
trisodium;1,3,5-triazine-2,4,6-trisulfonate
InChI:
InChI=1S/C3H3N3O9S3.3Na/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15;;;/h(H,7,8,9)(H,10,11,12)(H,13,14,15);;;/q;3*+1/p-3
InChI Key:
PTWBWTHLDIERJK-UHFFFAOYSA-K
SMILES:
[O-]S(=O)(=O)c1nc(nc(n1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
EC Number:
286-853-1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.849g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.194g/mol
Monoisotopic Mass:
386.849g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
235A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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