Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin, 3,7-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13-tetrahydro-5-hydroxy-, 5-oxide, (11aR)-

CAS Registry Number®

1297613-76-3
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CAS Name

Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin, 3,7-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13-tetrahydro-5-hydroxy-, 5-oxide, (11aR)-

Molecular Formula

C33H19F12O4P

Molecular Mass

738.46

Cite this Page

Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin, 3,7-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13-tetrahydro-5-hydroxy-, 5-oxide, (11aR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1297613-76-3 (retrieved 2024-09-09) (CAS RN: 1297613-76-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H19F12O4P/c34-30(35,36)19-9-17(10-20(13-19)31(37,38)39)23-3-1-15-5-7-29-8-6-16-2-4-24(28(26(16)29)49-50(46,47)48-27(23)25(15)29)18-11-21(32(40,41)42)14-22(12-18)33(43,44)45/h1-4,9-14H,5-8H2,(H,46,47)

InChIKey

InChIKey=SZXXNKRVJAEGKW-UHFFFAOYSA-N

SMILES

O=P1(O)OC2=C3C4(C5=C(C(=CC=C5CC4)C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)O1)CCC3=CC=C2C7=CC(C(F)(F)F)=CC(C(F)(F)F)=C7

Canonical SMILES

O=P1(O)OC=2C(=CC=C3C2C4(C5=C(O1)C(=CC=C5CC4)C=6C=C(C=C(C6)C(F)(F)F)C(F)(F)F)CC3)C=7C=C(C=C(C7)C(F)(F)F)C(F)(F)F

Other Names for this Substance

  • Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin, 3,7-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,12,13-tetrahydro-5-hydroxy-, 5-oxide, (11aR)-