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Brilliant Crocein

CAS No.:
5413-75-2
Catalog Number:
AG0034KB
Molecular Formula:
C22H14N4Na2O7S2
Molecular Weight:
556.4787
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
1 week
United States
$67
- +
Product Description
Catalog Number:
AG0034KB
Chemical Name:
Brilliant Crocein
CAS Number:
5413-75-2
Molecular Formula:
C22H14N4Na2O7S2
Molecular Weight:
556.4787
MDL Number:
MFCD00003907
IUPAC Name:
disodium;7-hydroxy-8-[(4-phenyldiazenylphenyl)diazenyl]naphthalene-1,3-disulfonate
InChI:
InChI=1S/C22H16N4O7S2.2Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChI Key:
PEAGNRWWSMMRPZ-UHFFFAOYSA-L
SMILES:
Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
226-502-1
UNII:
5PLA82FV3C
Properties
Complexity:
952  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.01g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
556.475g/mol
Monoisotopic Mass:
556.01g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
201A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties