2,7-NAPHTHALENEDISULFONIC ACID, 4-AMINO-6-[2-[4-[[[4-[2-(2,4-DIAMINOPHENYL)DIAZENYL]PHENYL]AMINO]SULFONYL]PHENYL]DIAZENYL]-5-HYDROXY-3-[2-(4-NITROPHENYL)DIAZENYL]-, POTASSIUM SODIUM SALT (1:?:?)

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

Structure

InChI Key LORDCCRZZBBXHN-HJWVACLBSA-N
Smiles Nc1ccc(N=Nc2ccc(N[S](=O)(=O)c3ccc(NN=C4C(=O)c5c(N)c(N=Nc6ccc(cc6)[N+]([O-])=O)c(cc5C=C4[S](O)(=O)=O)[S](O)(=O)=O)cc3)cc2)c(N)c1
InChI
InChI=1S/C34H27N11O11S3/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48/h1-17,33,44H,35-37H2,(H,51,52,53)(H,54,55,56)/b41-38?,42-39?,43-40+

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H27N11O11S3
Molecular Weight 861.11
AlogP 6.8
Hydrogen Bond Acceptor 18.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 367.34
Heavy Atoms 59.0

Cross References

Resources Reference
CAS NUMBER 112484-44-3
NORMAN SUSDAT
CONTENTS