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127750-22-5 | 2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
CAS No: 127750-22-5 Catalog No: AG000XDN MDL No:
Product Description
Catalog Number:
AG000XDN
Chemical Name:
2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[2-[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)
CAS Number:
127750-22-5
Molecular Formula:
C28H29N6NaO6S
Molecular Weight:
600.6212
IUPAC Name:
sodium;6-amino-3-[[4-[[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C28H30N6O6S.Na/c1-3-34(4-2)22-10-7-20(8-11-22)30-31-21-9-12-24(25(17-21)40-14-13-35)32-33-27-26(41(37,38)39)15-18-5-6-19(29)16-23(18)28(27)36;/h5-12,15-17,35-36H,3-4,13-14,29H2,1-2H3,(H,37,38,39);/q;+1/p-1
InChI Key:
QTDRFDYCUCAFLW-UHFFFAOYSA-M
SMILES:
OCCOc1cc(ccc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)[O-])N=Nc1ccc(cc1)N(CC)CC.[Na+]
Properties
Complexity:
974
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.177g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
600.626g/mol
Monoisotopic Mass:
600.177g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
194A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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