Chem
J-GLOBAL ID:201207016861086193   Nikkaji number:J3.117.904A

(3aα,8aβ)-2,2-Dimethyl-4,4,8,8-tetraphenyl-6-(trifluoromethylsulfonylamino)tetrahydro-2H,6H-1,3,5,7-tetraoxa-6-phosphaazulene 6-oxide

(3aα,8aβ)-2,2-ジメチル-4,4,8,8-テトラフェニル-6-(トリフルオロメチルスルホニルアミノ)テトラヒドロ-2H,6H-1,3,5,7-テトラオキサ-6-ホスファアズレン6-オキシド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C32H29F3NO6[O-][P+]S
Molecular formula furigana: C32-H29-F3-N-O7-P-S
Molecular weight: 659.610
InChI: InChI=1S/C32H29F3NO7PS/c1-29(2)40-27-28(41-29)31(25-19-11-5-12-20-25,26-21-13-6-14-22-26)43-44(37,36-45(38,39)32(33,34)35)42-30(27,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h3-22,27-28H,1-2H3,(H,36,37)/t27-,28-/m1/s1
InChI key: LRJXOABYDKCBTG-VSGBNLITSA-N
SMILES: CC1(C)O[C@@H]2[C@@H](O1)C(O[P+]([O-])(NS(=O)(=O)C(F)(F)F)OC2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (3aα,8aβ)-2,2-ジメチル-4,4,8,8-テトラフェニル-6-(トリフルオロメチルスルホニルアミノ)テトラヒドロ-2H,6H-1,3,5,7-テトラオキサ-6-ホスファアズレン6-オキシド
  • (3aR,8aR)-2,2-ジメチル-4,4,8,8-テトラフェニル-6-(トリフルオロメタンスルホンアミド)-ヘキサヒドロ-[1,3]ジオキソロ[4,5-e][1,3,2]ジオキサホスフェピン-6-イウム-6-オラート
  • (3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-6-(trifluoromethanesulfonamido)-hexahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-ium-6-olate
Other name (1):
  • (3aα,8aβ)-2,2-Dimethyl-4,4,8,8-tetraphenyl-6-(trifluoromethylsulfonylamino)tetrahydro-2H,6H-1,3,5,7-tetraoxa-6-phosphaazulene 6-oxide
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