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70210-37-6 | 2,7-Naphthalenedisulfonicacid, 5-(benzoylamino)-4-hydroxy-3-[2-[2-(2-methylphenoxy)phenyl]diazenyl]-,sodium salt (1:2)
CAS No: 70210-37-6 Catalog No: AG005KIG MDL No:
Product Description
Catalog Number:
AG005KIG
Chemical Name:
2,7-Naphthalenedisulfonicacid, 5-(benzoylamino)-4-hydroxy-3-[2-[2-(2-methylphenoxy)phenyl]diazenyl]-,sodium salt (1:2)
CAS Number:
70210-37-6
Molecular Formula:
C30H21N3Na2O9S2
Molecular Weight:
677.6120
IUPAC Name:
disodium;5-benzamido-4-hydroxy-3-[[2-(2-methylphenoxy)phenyl]diazenyl]naphthalene-2,7-disulfonate
InChI:
InChI=1S/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
InChI Key:
UZSOSPUHRLUDJW-UHFFFAOYSA-L
SMILES:
O=C(c1ccccc1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1Oc1ccccc1C)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
274-434-6
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
677.051g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
677.61g/mol
Monoisotopic Mass:
677.051g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
214A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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