Chem
J-GLOBAL ID：201107090530144744   Nikkaji number：J2.985.578A

2,2′′-[[(6aS,6bS)-6a,6b-Dimethyl-2,3,6a,6b-tetrahydro-6,7-dithia-1H-trindene-5,8-diyl]bis[(4,1-phenylene)oxy(6,1-hexanediyl)oxy]]bis[2′-(octyloxy)-1,1′-binaphthalene]

2,2′′-[[(6aS,6bS)-6a,6b-ジメチル-2,3,6a,6b-テトラヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス[(4,1-フェニレン)オキシ(6,1-ヘキサンジイル)オキシ]]ビス[2′-(オクチルオキシ)-1,1′-ビナフタレン]
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： C95H104O6S2
Molecular formula furigana： C95-H104-O6-S2
Molecular weight： 1405.990
InChI： InChI=1S/C95H104O6S2/c1-5-7-9-11-13-29-62-98-84-56-48-68-34-19-23-38-76(68)90(84)92-78-40-25-21-36-70(78)50-58-86(92)100-64-31-17-15-27-60-96-74-52-44-72(45-53-74)88-66-82-80-42-33-43-81(80)83-67-89(103-95(83,4)94(82,3)102-88)73-46-54-75(55-47-73)97-61-28-16-18-32-65-101-87-59-51-71-37-22-26-41-79(71)93(87)91-77-39-24-20-35-69(77)49-57-85(91)99-63-30-14-12-10-8-6-2/h19-26,34-41,44-59,66-67H,5-18,27-33,42-43,60-65H2,1-4H3/t94-,95-/m0/s1
InChI key： PJEGYKNLKUYBQD-NXKRBGGLSA-N
SMILES： CCCCCCCCOc1ccc2ccccc2c1c1c(OCCCCCCOc2ccc(cc2)C2=CC3=C4CCCC4=C4C=C(S[C@]4(C)[C@@]3(C)S2)c2ccc(OCCCCCCOc3ccc4ccccc4c3c3c(OCCCCCCCC)ccc4ccccc34)cc2)ccc2ccccc12
Systematic name  (3)：
  • 2,2′′-[[(6aS,6bS)-6a,6b-ジメチル-2,3,6a,6b-テトラヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイル]ビス[(4,1-フェニレン)オキシ(6,1-ヘキサンジイル)オキシ]]ビス[2′-(オクチルオキシ)-1,1′-ビナフタレン]
  • (1S,2S)-1,2-ジメチル-4,14-ビス({4-[(6-{[2'-(オクチルオキシ)-[1,1'-ビナフタレン]-2-イル]オキシ}ヘキシル)オキシ]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
  • (1S,2S)-1,2-dimethyl-4,14-bis({4-[(6-{[2'-(octyloxy)-[1,1'-binaphthalen]-2-yl]oxy}hexyl)oxy]phenyl})-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene
Other name (1)：
  • 2,2′′-[[(6aS,6bS)-6a,6b-Dimethyl-2,3,6a,6b-tetrahydro-6,7-dithia-1H-trindene-5,8-diyl]bis[(4,1-phenylene)oxy(6,1-hexanediyl)oxy]]bis[2′-(octyloxy)-1,1′-binaphthalene]
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