Chem
J-GLOBAL ID:200907007441507881
Nikkaji number:J2.403.078D
4,4′,4′′,4′′′-[4,24:6,10:12,16:18,22-Tetrakis(methylenedioxy)-2,8,14,20-tetraheptylpentacyclo[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-5,11,17,23-tetrayl]tetrakis(benzoic acid)
4,4′,4′′,4′′′-[4,24:6,10:12,16:18,22-テトラキス(メチレンジオキシ)-2,8,14,20-テトラヘプチルペンタシクロ[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-5,11,17,23-テトライル]テトラキス(安息香酸)
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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:
C88 H96 O16
Molecular formula furigana:
C88-H96-O16
Molecular weight:
1409.720
InChI:
InChI=1S/C88H96O16/c1-5-9-13-17-21-25-61-65-45-67-62(26-22-18-14-10-6-2)69-47-71-64(28-24-20-16-12-8-4)72-48-70-63(27-23-19-15-11-7-3)68-46-66(61)78-74(54-31-39-58(40-32-54)86(91)92)80(68)100-51-102-82(70)76(56-35-43-60(44-36-56)88(95)96)84(72)104-52-103-83(71)75(55-33-41-59(42-34-55)87(93)94)81(69)101-50-99-79(67)73(77(65)97-49-98-78)53-29-37-57(38-30-53)85(89)90/h29-48,61-64H,5-28,49-52H2,1-4H3,(H,89,90)(H,91,92)(H,93,94)(H,95,96)
InChI key:
VSAYMIICKUJRAC-UHFFFAOYSA-N
SMILES:
CCCCCCCC1c2cc3C(CCCCCCC)c4cc5C(CCCCCCC)c6cc7C(CCCCCCC)c8cc1c1OCOc2c(c2ccc(cc2)C(=O)O)c3OCOc4c(c2ccc(cc2)C(=O)O)c5OCOc6c(c2ccc(cc2)C(=O)O)c7OCOc8c1c1ccc(cc1)C(=O)O
Systematic name (3):
4,4′,4′′,4′′′-[4,24:6,10:12,16:18,22-テトラキス(メチレンジオキシ)-2,8,14,20-テトラヘプチルペンタシクロ[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-5,11,17,23-テトライル]テトラキス(安息香酸)
4-[12,18,39-トリス(4-カルボキシフェニル)-25,29,33,37-テトラヘプチル-2,4,8,10,14,16,20,22-オクタオキサノナシクロ[21.15.1.124,38 .05,36 .07,34 .011,32 .013,30 .017,28 .019,26 ]テトラコンタ-1(39),5(36),6,11(32),12,17(28),18,23,26,30,34,38(40)-ドデカエン-6-イル]安息香酸
4-[12,18,39-tris(4-carboxyphenyl)-25,29,33,37-tetraheptyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38 .05,36 .07,34 .011,32 .013,30 .017,28 .019,26 ]tetraconta-1(39),5(36),6,11(32),12,17(28),18,23,26,30,34,38(40)-dodecaen-6-yl]benzoic acid
Other name (1):
4,4′,4′′,4′′′-[4,24:6,10:12,16:18,22-Tetrakis(methylenedioxy)-2,8,14,20-tetraheptylpentacyclo[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-5,11,17,23-tetrayl]tetrakis(benzoic acid)
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