TETRASODIUM 4,4'-BIS[[P-[(P-SULPHONATOPHENYL)AZO]PHENYL]-N,N,O-AZOXY]STILBENE-2,2'-DISULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key DPZSZYKUTXQFLL-UHFFFAOYSA-J
Smiles [Na]OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=N(=O)c3ccc(C=Cc4ccc(cc4S(=O)(=O)O[Na])N(=O)=Nc5ccc(cc5)N=Nc6ccc(cc6)S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na]
InChI
InChI=1/C38H28N8O14S4.4Na/c47-45(43-31-9-5-27(6-10-31)39-41-29-13-19-35(20-14-29)61(49,50)51)33-17-3-25(37(23-33)63(55,56)57)1-2-26-4-18-34(24-38(26)64(58,59)60)46(48)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)62(52,53)54;;;;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/rC38H24N8Na4O14S4/c47-61-65(53,54)35-19-13-29(14-20-35)41-39-27-5-9-31(10-6-27)43-45(51)33-17-3-25(37(23-33)67(57,58)63-49)1-2-26-4-18-34(24-38(26)68(59,60)64-50)46(52)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)66(55,56)62-48/h1-24H

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H24N8Na4O14S4
Molecular Weight 1035.99
AlogP 3.38
Hydrogen Bond Acceptor 16.0
Number of Rotational Bond 18.0
Polar Surface Area 291.28
Heavy Atoms 68.0

Cross References

Resources Reference
CAS NUMBER 32651-66-4
NORMAN SUSDAT
CONTENTS