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83763-42-2 | 2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]-, sodium salt (1:2)
CAS No: 83763-42-2 Catalog No: AG004X0R MDL No:
Product Description
Catalog Number:
AG004X0R
Chemical Name:
2,7-Naphthalenedisulfonicacid, 4-hydroxy-5-[(phenylsulfonyl)amino]-, sodium salt (1:2)
CAS Number:
83763-42-2
Molecular Formula:
C16H11NNa2O9S3
Molecular Weight:
503.4344
IUPAC Name:
disodium;4-(benzenesulfonamido)-5-hydroxynaphthalene-2,7-disulfonate
InChI:
InChI=1S/C16H13NO9S3.2Na/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11;;/h1-9,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChI Key:
OKMVORVXDDPPRA-UHFFFAOYSA-L
SMILES:
Oc1cc(cc2c1c(cc(c2)S(=O)(=O)[O-])NS(=O)(=O)c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
280-728-5
Properties
Complexity:
866
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.939g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
503.422g/mol
Monoisotopic Mass:
502.939g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
206A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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