Chem
J-GLOBAL ID：200907003107717950   Nikkaji number：J979.296A

(8aR)-9,9,10,10,11,11-Hexafluoro-2,7-bis[4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-ylmethyl)phenyl]-8aα,8bβ-dimethyl-8a,8b-dihydro-4,5-propanobenzo[2,1-b:3,4-b′]dithiophene

(8aR)-9,9,10,10,11,11-ヘキサフルオロ-2,7-ビス[4-(1,4,7,10-テトラオキサ-13-アザシクロペンタデカン-13-イルメチル)フェニル]-8aα,8bβ-ジメチル-8a,8b-ジヒドロ-4,5-プロパノベンゾ[2,1-b:3,4-b′]ジチオフェン
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： C49H60F6N2O8S2
Molecular formula furigana： C49-H60-F6-N2-O8-S2
Molecular weight： 983.140
InChI： InChI=1S/C49H60F6N2O8S2/c1-45-39(31-41(66-45)37-7-3-35(4-8-37)33-56-11-15-58-19-23-62-27-28-63-24-20-59-16-12-56)43-44(48(52,53)49(54,55)47(43,50)51)40-32-42(67-46(40,45)2)38-9-5-36(6-10-38)34-57-13-17-60-21-25-64-29-30-65-26-22-61-18-14-57/h3-10,31-32H,11-30,33-34H2,1-2H3/t45-,46-/m1/s1
InChI key： BJCHHVJQTCCJEP-AWSIMMLFSA-N
SMILES： C[C@@]12SC(=CC1=C1C(=C3C=C(S[C@@]23C)c2ccc(CN3CCOCCOCCOCCOCC3)cc2)C(F)(F)C(F)(F)C1(F)F)c1ccc(CN2CCOCCOCCOCCOCC2)cc1
Systematic name  (3)：
  • (8aR)-9,9,10,10,11,11-ヘキサフルオロ-2,7-ビス[4-(1,4,7,10-テトラオキサ-13-アザシクロペンタデカン-13-イルメチル)フェニル]-8aα,8bβ-ジメチル-8a,8b-ジヒドロ-4,5-プロパノベンゾ[2,1-b:3,4-b′]ジチオフェン
  • 13-({4-[(1R,2R)-8,8,9,9,10,10-ヘキサフルオロ-1,2-ジメチル-14-{4-[(1,4,7,10-テトラオキサ-13-アザシクロペンタデカン-13-イル)メチル]フェニル}-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-イル]フェニル}メチル)-1,4,7,10-テトラオキサ-13-アザシクロペンタデカン
  • 13-({4-[(1R,2R)-8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-{4-[(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)methyl]phenyl}-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl}methyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
Other name (1)：
  • (8aR)-9,9,10,10,11,11-Hexafluoro-2,7-bis[4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-ylmethyl)phenyl]-8aα,8bβ-dimethyl-8a,8b-dihydro-4,5-propanobenzo[2,1-b:3,4-b′]dithiophene
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