Chem
J-GLOBAL ID：200907074664899560   Nikkaji number：J979.297J

(8aR)-9,9,10,10,11,11-Hexafluoro-2,7-bis[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-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-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-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： C53H68F6N2O10S2
Molecular formula furigana： C53-H68-F6-N2-O10-S2
Molecular weight： 1071.240
InChI： InChI=1S/C53H68F6N2O10S2/c1-49-43(35-45(72-49)41-7-3-39(4-8-41)37-60-11-15-62-19-23-66-27-31-70-32-28-67-24-20-63-16-12-60)47-48(52(56,57)53(58,59)51(47,54)55)44-36-46(73-50(44,49)2)42-9-5-40(6-10-42)38-61-13-17-64-21-25-68-29-33-71-34-30-69-26-22-65-18-14-61/h3-10,35-36H,11-34,37-38H2,1-2H3/t49-,50-/m1/s1
InChI key： MEGVIPMPEJUCHM-CDKYPKJRSA-N
SMILES： C[C@@]12SC(=CC1=C1C(=C3C=C(S[C@@]23C)c2ccc(CN3CCOCCOCCOCCOCCOCC3)cc2)C(F)(F)C(F)(F)C1(F)F)c1ccc(CN2CCOCCOCCOCCOCCOCC2)cc1
Systematic name  (3)：
  • (8aR)-9,9,10,10,11,11-ヘキサフルオロ-2,7-ビス[4-(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-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
  • 16-({4-[(1R,2R)-8,8,9,9,10,10-ヘキサフルオロ-1,2-ジメチル-14-{4-[(1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン-16-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)-1,4,7,10,13-ペンタオキサ-16-アザシクロオクタデカン
  • 16-({4-[(1R,2R)-8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-{4-[(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-yl)methyl]phenyl}-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl]phenyl}methyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
Other name (1)：
  • (8aR)-9,9,10,10,11,11-Hexafluoro-2,7-bis[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-ylmethyl)phenyl]-8aα,8bβ-dimethyl-8a,8b-dihydro-4,5-propanobenzo[2,1-b:3,4-b′]dithiophene
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM