Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (Predicted)

Basic Info

FADB-China IDP1886
Molecular NameBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt
Basis for prediction Fluorescent Brightener 85
Similarity (based on Tanimoto coefficient and ECFP6 fingerprint)0.8009
Similarity (based on Tanimoto coefficient and Daylight fingerprint)0.9427
Similarity (based on MCS)0.8286
2D StructureNo image
SMILESO=S(=O)([O-])c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)[O-].[K].[K].[Na+].[Na+]
CFM-ID 3.0 (Copy SMILES to the website's input box)URL Link
Update DateJul 30, 2019 14:16

References

TitleData Sources
Source HPV EPA Chemicals, OECD HPV Chemicals
PubChem LinkURL Link