4,4'-DIAMINO-2,2'-STILBENEDISULFONIC ACID, (E)-

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Keyword(s): Drinking Water Chemicals
Molecule Category Free-form
UNII H68088WVJL
EPA CompTox DTXSID60182371

Structure

InChI Key REJHVSOVQBJEBF-OWOJBTEDSA-N
Smiles Nc1ccc(C=Cc2ccc(N)cc2S(O)(=O)=O)c(c1)S(O)(=O)=O
InChI
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N2O6S2
Molecular Weight 370.03
AlogP 1.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 160.78
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 28096-93-7
NORMAN SUSDAT
FDA SRS H68088WVJL
PubChem 5284378
ChemSpider 4447454.0
CONTENTS