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84852-31-3 | DISODIUM 6-(ACETYLAMINO)-3-[[5-(ACETYLAMINO)-2-SULFONATOPHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULFONATE
CAS No: 84852-31-3 Catalog No: AG004QNW MDL No:
Product Description
Catalog Number:
AG004QNW
Chemical Name:
DISODIUM 6-(ACETYLAMINO)-3-[[5-(ACETYLAMINO)-2-SULFONATOPHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULFONATE
CAS Number:
84852-31-3
Molecular Formula:
C20H16N4Na2O9S2
Molecular Weight:
566.4720
IUPAC Name:
disodium;6-acetamido-3-[(5-acetamido-2-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C20H18N4O9S2.2Na/c1-10(25)21-13-4-3-12-7-18(35(31,32)33)19(20(27)15(12)8-13)24-23-16-9-14(22-11(2)26)5-6-17(16)34(28,29)30;;/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChI Key:
FDUUUOURFWZXLI-UHFFFAOYSA-L
SMILES:
CC(=O)Nc1ccc(c(c1)N=Nc1c(O)c2cc(ccc2cc1S(=O)(=O)[O-])NC(=O)C)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
284-342-8
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
566.015g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
566.467g/mol
Monoisotopic Mass:
566.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
234A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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