Chem
J-GLOBAL ID：200907038875499600   Nikkaji number：J2.444.613A

11aα,11bβ-Dimethyl-13,13,14,14,15,15-hexafluoro-5,6-propano-11a,11b-dihydrobenzo[2,1-b:3,4-b′]bis[1]benzothiophene 11-oxide

11aα,11bβ-ジメチル-13,13,14,14,15,15-ヘキサフルオロ-5,6-プロパノ-11a,11b-ジヒドロベンゾ[2,1-b:3,4-b′]ビス[1]ベンゾチオフェン11-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： C23H14F6[O-]S[S+]
Molecular formula furigana： C23-H14-F6-O-S2
Molecular weight： 484.470
InChI： InChI=1S/C23H14F6OS2/c1-19-15(11-7-3-5-9-13(11)31-19)17-18(22(26,27)23(28,29)21(17,24)25)16-12-8-4-6-10-14(12)32(30)20(16,19)2/h3-10H,1-2H3/t19-,20-,32?/m1/s1
InChI key： CFSMIYZEFIKNKW-NMAOPTAZSA-N
SMILES： C[C@@]12Sc3ccccc3C1=C1C(=C3c4ccccc4[S+]([O-])[C@@]23C)C(F)(F)C(F)(F)C1(F)F
Systematic name  (3)：
  • 11aα,11bβ-ジメチル-13,13,14,14,15,15-ヘキサフルオロ-5,6-プロパノ-11a,11b-ジヒドロベンゾ[2,1-b:3,4-b′]ビス[1]ベンゾチオフェン11-オキシド
  • (1R,2R)-12,12,13,13,14,14-ヘキサフルオロ-1,2-ジメチル-3,23-ジチアヘキサシクロ[14.7.0.02,10.04,9.011,15.017,22]トリコサ-4,6,8,10,15,17,19,21-オクタエン-3-イウム-3-オラート
  • (1R,2R)-12,12,13,13,14,14-hexafluoro-1,2-dimethyl-3,23-dithiahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-4,6,8,10,15,17,19,21-octaen-3-ium-3-olate
Other name (1)：
  • 11aα,11bβ-Dimethyl-13,13,14,14,15,15-hexafluoro-5,6-propano-11a,11b-dihydrobenzo[2,1-b:3,4-b′]bis[1]benzothiophene 11-oxide
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