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85455-39-6 | SODIUM 6-AMINO-5-((2-((ETHYLPHENYLAMINO)SULFONYL)PHENYL)AZO)NAPHTHALENE-2-SULFONATE
CAS No: 85455-39-6 Catalog No: AG004JXF MDL No:
Product Description
Catalog Number:
AG004JXF
Chemical Name:
SODIUM 6-AMINO-5-((2-((ETHYLPHENYLAMINO)SULFONYL)PHENYL)AZO)NAPHTHALENE-2-SULFONATE
CAS Number:
85455-39-6
Molecular Formula:
C24H21N4NaO5S2
Molecular Weight:
532.5671
IUPAC Name:
sodium;6-amino-5-[[2-[ethyl(phenyl)sulfamoyl]phenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C24H22N4O5S2.Na/c1-2-28(18-8-4-3-5-9-18)34(29,30)23-11-7-6-10-22(23)26-27-24-20-14-13-19(35(31,32)33)16-17(20)12-15-21(24)25;/h3-16H,2,25H2,1H3,(H,31,32,33);/q;+1/p-1
InChI Key:
SCCMWLVVVYIBNX-UHFFFAOYSA-M
SMILES:
CCN(S(=O)(=O)c1ccccc1N=Nc1c(N)ccc2c1ccc(c2)S(=O)(=O)[O-])c1ccccc1.[Na+]
EC Number:
287-274-7
Properties
Complexity:
947
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.085g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
532.565g/mol
Monoisotopic Mass:
532.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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