DIPOTASSIUM 3,3'-METHYLENEBISNAPHTHALENE-2-SULPHONATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID30980326

Structure

InChI Key DMAKIGMBSNIBDJ-UHFFFAOYSA-L
Smiles [K+].[K+].O=S(=O)([O-])C1=CC=2C=CC=CC2C=C1CC3=CC=4C=CC=CC4C=C3S(=O)(=O)[O-]
InChI
InChI=1/C21H16O6S2.2K/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H16O6S2
Molecular Weight 503.95
AlogP -2.6
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 114.4
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 63766-16-5
NORMAN SUSDAT
PubChem 44725
CONTENTS