Chem
J-GLOBAL ID：200907038736516230   Nikkaji number：J1.259.210H

2,2′-[[6,6′-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,1′-binaphthalene-2,2′-diyl]bisoxy]bis[(S)-1-phenylethanol]

2,2′-[[6,6′-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-1,1′-ビナフタレン-2,2′-ジイル]ビスオキシ]ビス[(S)-1-フェニルエタノール]
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： C52H36F26O4
Molecular formula furigana： C52-H36-F26-O4
Molecular weight： 1218.814
InChI： InChI=1S/C52H36F26O4/c53-41(54,43(57,58)45(61,62)47(65,66)49(69,70)51(73,74)75)21-19-27-11-15-33-31(23-27)13-17-37(81-25-35(79)29-7-3-1-4-8-29)39(33)40-34-16-12-28(24-32(34)14-18-38(40)82-26-36(80)30-9-5-2-6-10-30)20-22-42(55,56)44(59,60)46(63,64)48(67,68)50(71,72)52(76,77)78/h1-18,23-24,35-36,79-80H,19-22,25-26H2/t35-,36-/m1/s1
InChI key： RDVUEUJXEFHIEO-LQFQNGICSA-N
SMILES： O[C@H](COc1ccc2cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc2c1c1c(OC[C@@H](O)c2ccccc2)ccc2cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc12)c1ccccc1
Systematic name  (3)：
  • 2,2′-[[6,6′-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-1,1′-ビナフタレン-2,2′-ジイル]ビスオキシ]ビス[(S)-1-フェニルエタノール]
  • (1S)-2-({2'-[(2S)-2-ヒドロキシ-2-フェニルエトキシ]-6,6'-ビス(3,3,4,4,5,5,6,6,7,7,8,8,8-トリデカフルオロオクチル)-[1,1'-ビナフタレン]-2-イル}オキシ)-1-フェニルエタン-1-オール
  • (1S)-2-({2'-[(2S)-2-hydroxy-2-phenylethoxy]-6,6'-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-[1,1'-binaphthalen]-2-yl}oxy)-1-phenylethan-1-ol
Other name (1)：
  • 2,2′-[[6,6′-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,1′-binaphthalene-2,2′-diyl]bisoxy]bis[(S)-1-phenylethanol]
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