Chem
J-GLOBAL ID：200907085023692436
Nikkaji number：J1.884.168A
5,11-Dibromo-25,26,27,28-tetrapropoxypentacyclo[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-dodecene
5,11-ジブロモ-25,26,27,28-テトラプロポキシペンタシクロ[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 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： C40H46Br2O4
Molecular formula furigana： C40-H46-BR2-O4
Molecular weight： 750.612
InChI：
InChI=1S/C40H46Br2O4/c1-5-15-43-37-27-11-9-13-29(37)20-31-23-35(41)25-33(39(31)45-17-7-3)22-34-26-36(42)24-32(40(34)46-18-8-4)21-30-14-10-12-28(19-27)38(30)44-16-6-2/h9-14,23-26H,5-8,15-22H2,1-4H3
InChI key：
SWMFAIRETJRZEG-UHFFFAOYSA-N
SMILES：
CCCOc1c2Cc3cccc(Cc4cc(Br)cc(Cc5cc(Br)cc(Cc1ccc2)c5OCCC)c4OCCC)c3OCCC
Systematic name (2)：
- 5,11-ジブロモ-25,26,27,28-テトラプロポキシペンタシクロ[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
- 5,11-dibromo-25,26,27,28-tetrapropoxypentacyclo[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-Dibromo-25,26,27,28-tetrapropoxypentacyclo[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-dodecene
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