CHEBI:105912 - phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester
ChEBI ID CHEBI:105912
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H18F3O4P
Net Charge 0
Average Mass 422.335
Monoisotopic Mass 422.08948
InChI InChI=1S/C21H18F3O4P/c1-16-9-8-14-19(15-16)27-29(25,26-18-12-6-3-7-13-18)28-20(21(22,23)24)17-10-4-2-5-11-17/h2-15,20H,1H3
InChIKey NJUYNBCHRXCGCK-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC(C3=CC=CC=C3)C(F)(F)F
ChEBI Ontology
Outgoing phosphoric acid (3-methylphenyl) phenyl (2,2,2-trifluoro-1-phenylethyl) ester (CHEBI:105912) is a aryl phosphate (CHEBI:36943)
Manual Xref Database
LSM-17273 LINCS
View more database links