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127750-17-8

127750-17-8 | 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-(2-hydroxyethoxy)-4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:1)

CAS No: 127750-17-8 Catalog No: AG000XDO MDL No:

Product Description

Catalog Number:
AG000XDO
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-3-[2-[2-(2-hydroxyethoxy)-4-(2-phenyldiazenyl)phenyl]diazenyl]-, sodium salt (1:1)
CAS Number:
127750-17-8
Molecular Formula:
C24H20N5NaO6S
Molecular Weight:
529.5003
IUPAC Name:
sodium;6-amino-4-hydroxy-3-[[2-(2-hydroxyethoxy)-4-phenyldiazenylphenyl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C24H21N5O6S.Na/c25-16-7-6-15-12-22(36(32,33)34)23(24(31)19(15)13-16)29-28-20-9-8-18(14-21(20)35-11-10-30)27-26-17-4-2-1-3-5-17;/h1-9,12-14,30-31H,10-11,25H2,(H,32,33,34);/q;+1/p-1
InChI Key:
NXGJPMFBAJBBIQ-UHFFFAOYSA-M
SMILES:
OCCOc1cc(ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-])N=Nc1ccccc1.[Na+]

Properties

Complexity:
868  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
529.103g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
529.503g/mol
Monoisotopic Mass:
529.103g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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