Chem
J-GLOBAL ID:200907051355517792   Nikkaji number:J2.270.635G

2,8,14,20-Tetraethyl-4,24:6,10:12,16:18,22-tetrakis[[2-(carboxymethyl)-1H-benzoimidazole-5,6-diyl]bisoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

2,8,14,20-テトラエチル-4,24:6,10:12,16:18,22-テトラキス[[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイル]ビスオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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: C72H56N8O16
Molecular formula furigana: C72-H56-N8-O16
Molecular weight: 1289.280
InChI: InChI=1S/C72H56N8O16/c1-5-29-33-9-35-30(6-2)37-11-39-32(8-4)40-12-38-31(7-3)36-10-34(29)50-22-52(36)92-60-16-44-46(78-67(76-44)27-71(85)86)18-62(60)94-54(38)24-56(40)96-64-20-48-47(79-68(80-48)28-72(87)88)19-63(64)95-55(39)23-53(37)93-61-17-45-43(75-66(77-45)26-70(83)84)15-59(61)91-51(35)21-49(33)89-57-13-41-42(14-58(57)90-50)74-65(73-41)25-69(81)82/h9-24,29-32H,5-8,25-28H2,1-4H3,(H,73,74)(H,75,77)(H,76,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)
InChI key: KVOLDGRXMSYENK-UHFFFAOYSA-N
SMILES: CCC1c2cc3C(CC)c4cc5C(CC)c6cc7C(CC)c8cc1c1Oc9cc%10[nH]c(CC(=O)O)nc%10cc9Oc2cc3Oc2cc3nc(CC(=O)O)[nH]c3cc2Oc4cc5Oc2cc3[nH]c(CC(=O)O)nc3cc2Oc6cc7Oc2cc3[nH]c(CC(=O)O)nc3cc2Oc8c1
Systematic name  (4):
  • 4,24-[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイルビスオキシ]-6,10-[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイルビスオキシ]-12,16-[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイルビスオキシ]-18,22-[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイルビスオキシ]-2,8,14,20-テトラエチルペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 2,8,14,20-テトラエチル-4,24:6,10:12,16:18,22-テトラキス[[2-(カルボキシメチル)-1H-ベンゾイミダゾール-5,6-ジイル]ビスオキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
  • 2-[21,35,49-トリス(カルボキシメチル)-57,61,65,69-テトラエチル-2,12,16,26,30,40,44,54-オクタオキサ-6,8,20,22,34,36,48,50-オクタアザヘプタデカシクロ[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]ドヘプタコンタ-1(71),3(11),4,6,9,13(68),14,17(25),18,20,23,27(64),28,31(39),32,34,37,41(60),42,45(53),46,49,51,55,58,62,66,70(72)-オクタコサエン-7-イル]酢酸
  • 2-[21,35,49-tris(carboxymethyl)-57,61,65,69-tetraethyl-2,12,16,26,30,40,44,54-octaoxa-6,8,20,22,34,36,48,50-octaazaheptadecacyclo[53.15.1.156,70.03,11.05,9.013,68.015,66.017,25.019,23.027,64.029,62.031,39.033,37.041,60.043,58.045,53.047,51]doheptaconta-1(71),3(11),4,6,9,13(68),14,17(25),18,20,23,27(64),28,31(39),32,34,37,41(60),42,45(53),46,49,51,55,58,62,66,70(72)-octacosaen-7-yl]acetic acid
Other name (2):
  • 4,24-[2-(Carboxymethyl)-1H-benzoimidazole-5,6-diylbisoxy]-6,10-[2-(carboxymethyl)-1H-benzoimidazole-5,6-diylbisoxy]-12,16-[2-(carboxymethyl)-1H-benzoimidazole-5,6-diylbisoxy]-18,22-[2-(carboxymethyl)-1H-benzoimidazole-5,6-diylbisoxy]-2,8,14,20-tetraethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
  • 2,8,14,20-Tetraethyl-4,24:6,10:12,16:18,22-tetrakis[[2-(carboxymethyl)-1H-benzoimidazole-5,6-diyl]bisoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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