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84000-71-5 | Disodium 4-hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonate
CAS No: 84000-71-5 Catalog No: AG004QIM MDL No:
Product Description
Catalog Number:
AG004QIM
Chemical Name:
Disodium 4-hydroxy-3-((2-methoxy-5-methyl-4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalenesulphonate
CAS Number:
84000-71-5
Molecular Formula:
C20H18N2Na2O11S3
Molecular Weight:
604.5383
IUPAC Name:
disodium;4-hydroxy-3-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate
InChI:
InChI=1S/C20H20N2O11S3.2Na/c1-12-9-15(17(32-2)11-18(12)34(24,25)8-7-33-36(29,30)31)21-22-16-10-19(35(26,27)28)13-5-3-4-6-14(13)20(16)23;;/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2
InChI Key:
FOZMACGKXZSFID-UHFFFAOYSA-L
SMILES:
COc1cc(c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)[O-])C)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]
EC Number:
281-627-9
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
603.987g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
604.527g/mol
Monoisotopic Mass:
603.987g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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