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20241-55-8 | 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-, sodium salt (1:2)
CAS No: 20241-55-8 Catalog No: AG00287H MDL No:
Product Description
Catalog Number:
AG00287H
Chemical Name:
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-, sodium salt (1:2)
CAS Number:
20241-55-8
Molecular Formula:
C17H11NNa2O8S2
Molecular Weight:
467.3807
IUPAC Name:
disodium;4-benzamido-5-hydroxynaphthalene-1,7-disulfonate
InChI:
InChI=1S/C17H13NO8S2.2Na/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChI Key:
NIANCZCABFGLTR-UHFFFAOYSA-L
SMILES:
O=C(c1ccccc1)Nc1ccc(c2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
243-628-2
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.972g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
467.374g/mol
Monoisotopic Mass:
466.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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