1-NAPHTHALENESULFONIC ACID, 2-((2-HYDROXY-6 -SULFO-1-NAPHTHALENYL)AZO)-, STRONIUM SALT (1:1)

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID20947923

Structure

InChI Key CBHJJGIEVISINO-UHFFFAOYSA-L
Smiles [Sr++].[O-]S(=O)(=O)C1=CC=C2C(C=CC(=O)C2=NNC2=C(C3=CC=CC=C3C=C2)S([O-])(=O)=O)=C1
InChI
InChI=1S/C20H14N2O7S2.Sr/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,21H,(H,24,25,26)(H,27,28,29);/q;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H12N2O7S2Sr
Molecular Weight 543.91
AlogP 1.68
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 155.86
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 250639-69-1
NORMAN SUSDAT
PubChem 135565130
CONTENTS