Chem
J-GLOBAL ID：201707008974285014   Nikkaji number：J3.594.518K

1,1′-[1,1,2,2,3,3-Hexafluoro-6a,6b-dimethyl-2,3-dihydro-6,7-dithia-1H-trindene-5,8-diylbis(1,4-phenylene)]bis[3-[3,4,5-tris(dodecyloxy)phenyl]urea]

1,1′-[1,1,2,2,3,3-ヘキサフルオロ-6a,6b-ジメチル-2,3-ジヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイルビス(1,4-フェニレン)]ビス[3-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素]
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： C113H174F6N4O8S2
Molecular formula furigana： C113-H174-F6-N4-O8-S2
Molecular weight： 1894.770
InChI： InChI=1S/C113H174F6N4O8S2/c1-9-15-21-27-33-39-45-51-57-63-77-126-97-83-93(84-98(127-78-64-58-52-46-40-34-28-22-16-10-2)105(97)130-81-67-61-55-49-43-37-31-25-19-13-5)122-107(124)120-91-73-69-89(70-74-91)101-87-95-103-104(112(116,117)113(118,119)111(103,114)115)96-88-102(133-110(96,8)109(95,7)132-101)90-71-75-92(76-72-90)121-108(125)123-94-85-99(128-79-65-59-53-47-41-35-29-23-17-11-3)106(131-82-68-62-56-50-44-38-32-26-20-14-6)100(86-94)129-80-66-60-54-48-42-36-30-24-18-12-4/h69-76,83-88H,9-68,77-82H2,1-8H3,(H2,120,122,124)(H2,121,123,125)
InChI key： MWLYKKYFSAOHCU-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1cc(NC(=O)Nc2ccc(cc2)C2=CC3=C4C(=C5C=C(SC5(C)C3(C)S2)c2ccc(NC(=O)Nc3cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3)cc2)C(F)(F)C(F)(F)C4(F)F)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC
Systematic name  (3)：
  • 1,1′-[1,1,2,2,3,3-ヘキサフルオロ-6a,6b-ジメチル-2,3-ジヒドロ-6,7-ジチア-1H-トリンデン-5,8-ジイルビス(1,4-フェニレン)]ビス[3-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素]
  • 1-(4-{8,8,9,9,10,10-ヘキサフルオロ-1,2-ジメチル-14-[4-({[3,4,5-トリス(ドデシルオキシ)フェニル]カルバモイル}アミノ)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)-3-[3,4,5-トリス(ドデシルオキシ)フェニル]尿素
  • 1-(4-{8,8,9,9,10,10-hexafluoro-1,2-dimethyl-14-[4-({[3,4,5-tris(dodecyloxy)phenyl]carbamoyl}amino)phenyl]-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraen-4-yl}phenyl)-3-[3,4,5-tris(dodecyloxy)phenyl]urea
Other name (1)：
  • 1,1′-[1,1,2,2,3,3-Hexafluoro-6a,6b-dimethyl-2,3-dihydro-6,7-dithia-1H-trindene-5,8-diylbis(1,4-phenylene)]bis[3-[3,4,5-tris(dodecyloxy)phenyl]urea]
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