EUROPIUM, TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANE-DIO- NATO]BIS(TRIPHENYLPHOSPHINE OXIDE)-

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key XYIMJKQGNVTQAC-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CSC(=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CSC(=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CSC(=C1)C(=O)[CH-]C(=O)C(F)(F)F.[Eu+3]
InChI
InChI=1S/2C18H15OP.3C8H4F3O2S.Eu/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h2*1-15H;3*1-4H;/q;;3*-1;+3

Physicochemical Descriptors

Property Name Value
Molecular Formula C60H42EuF9O8P2S3
Molecular Weight 1372.06
AlogP 13.45
Hydrogen Bond Acceptor 11.0
Number of Rotational Bond 15.0
Polar Surface Area 136.56
Heavy Atoms 83.0

Cross References

Resources Reference
CAS NUMBER 12121-29-8
NORMAN SUSDAT
PubChem 131845722
CONTENTS