CAS Registry Number®
1706437-52-6
Molecular Formula
C43H24F12NO5PSMolecular Mass
925.67Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1706437-52-6 (retrieved ) (CAS RN: 1706437-52-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C43H24F12NO5PS/c1-22-10-12-31(13-11-22)63(58,59)56-62(57)60-38-34(25-14-27(40(44,45)46)20-28(15-25)41(47,48)49)18-23-6-2-4-8-32(23)36(38)37-33-9-5-3-7-24(33)19-35(39(37)61-62)26-16-29(42(50,51)52)21-30(17-26)43(53,54)55/h2-21H,1H3,(H,56,57)
InChIKey
InChIKey=JZZACFBEACFLDL-UHFFFAOYSA-N
SMILES
N(S(=O)(=O)C1=CC=C(C)C=C1)P2(=O)OC3=C(C4=C(C(=CC=5C4=CC=CC5)C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)O2)C=7C(C=C3C8=CC(C(F)(F)F)=CC(C(F)(F)F)=C8)=CC=CC7
Canonical SMILES
O=P1(OC2=C(C=C3C=CC=CC3=C2C4=C(O1)C(=CC=5C=CC=CC54)C=6C=C(C=C(C6)C(F)(F)F)C(F)(F)F)C=7C=C(C=C(C7)C(F)(F)F)C(F)(F)F)NS(=O)(=O)C8=CC=C(C=C8)C
