Chem
J-GLOBAL ID：200907011714834160
Nikkaji number：J2.586.481F
6′,6′′-[Oxy(1,4-phenylenecarbonyl)]-6′′′,6′′′′-[oxy(1,4-phenylenecarbonyl)]-6′′′′′,6-[oxy(1,4-phenylenecarbonyl)]tris(1,1′-bi[2-methoxynaphthalene])
6′,6′′-[オキシ(1,4-フェニレンカルボニル)]-6′′′,6′′′′-[オキシ(1,4-フェニレンカルボニル)]-6′′′′′,6-[オキシ(1,4-フェニレンカルボニル)]トリス(1,1′-ビ[2-メトキシナフタレン])
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
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
Molecular formula： C87H60O12
Molecular formula furigana： C87-H60-O12
Molecular weight： 1297.425
InChI：
InChI=1S/C87H60O12/c1-91-73-37-16-52-43-58-13-31-67(52)79(73)82-70-34-28-64(46-55(70)19-40-76(82)94-4)97-61-24-9-50(10-25-61)86(89)59-14-32-68-53(44-59)17-38-74(92-2)80(68)84-72-36-30-66(48-57(72)21-42-78(84)96-6)99-63-26-11-51(12-27-63)87(90)60-15-33-69-54(45-60)18-39-75(93-3)81(69)83-71-35-29-65(47-56(71)20-41-77(83)95-5)98-62-22-7-49(8-23-62)85(58)88/h7-48H,1-6H3
InChI key：
QDCXXUIUPLBULN-UHFFFAOYSA-N
SMILES：
COc1ccc2cc3ccc2c1c1c(OC)ccc2cc(ccc12)C(=O)c1ccc(cc1)Oc1ccc2c(ccc(OC)c2c2c(OC)ccc4cc(ccc24)C(=O)c2ccc(cc2)Oc2ccc4c(ccc(OC)c4c4c(OC)ccc5cc(ccc45)C(=O)c4ccc(cc4)O3)c2)c1
Systematic name (3)：
- 6′,6′′-[オキシ(1,4-フェニレンカルボニル)]-6′′′,6′′′′-[オキシ(1,4-フェニレンカルボニル)]-6′′′′′,6-[オキシ(1,4-フェニレンカルボニル)]トリス(1,1′-ビ[2-メトキシナフタレン])
- 10,13,34,37,58,61-ヘキサメトキシ-2,26,50-トリオキサヘキサデカシクロ[68.2.2.222,25.246,49.13,7.116,20.127,31.140,44.151,55.164,68.06,11.012,17.030,35.036,41.054,59.060,65]テトラオクタコンタ-1(72),3,5,7(84),8,10,12,14,16(83),17,19,22,24,27(80),28,30(35),31,33,36,38,40(79),41,43,46,48,51(76),52,54(59),55,57,60,62,64(75),65,67,70,73,77,81-ノナトリアコンタエン-21,45,69-トリオン
- 10,13,34,37,58,61-hexamethoxy-2,26,50-trioxahexadecacyclo[68.2.2.222,25.246,49.13,7.116,20.127,31.140,44.151,55.164,68.06,11.012,17.030,35.036,41.054,59.060,65]tetraoctaconta-1(72),3,5,7(84),8,10,12,14,16(83),17,19,22,24,27(80),28,30(35),31,33,36,38,40(79),41,43,46,48,51(76),52,54(59),55,57,60,62,64(75),65,67,70,73,77,81-nonatriacontaene-21,45,69-trione
- 6′,6′′-[Oxy(1,4-phenylenecarbonyl)]-6′′′,6′′′′-[oxy(1,4-phenylenecarbonyl)]-6′′′′′,6-[oxy(1,4-phenylenecarbonyl)]tris(1,1′-bi[2-methoxynaphthalene])
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