Chem
J-GLOBAL ID：201007073952189369   Nikkaji number：J2.889.755C

9,9′-[[6,13-Dibromo-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl]bistetramethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester

9,9′-[[6,13-ジブロモ-1,3,8,10-テトラオキソ-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-2,9-ジイル]ビステトラメチレン]ビス(9,10-エタノ-9,10-ジヒドロアントラセン-11,12-ジカルボン酸ジメチル)
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： C72H56Br2N2O12
Molecular formula furigana： C72-H56-BR2-N2-O12
Molecular weight： 1301.050
InChI： InChI=1S/C72H56Br2N2O12/c1-85-67(81)59-51-35-17-5-9-21-45(35)71(61(59)69(83)87-3,46-22-10-6-18-36(46)51)29-13-15-31-75-63(77)41-27-25-39-56-50(74)34-44-54-42(28-26-40(58(54)56)55-49(73)33-43(65(75)79)53(41)57(39)55)64(78)76(66(44)80)32-16-14-30-72-47-23-11-7-19-37(47)52(38-20-8-12-24-48(38)72)60(68(82)86-2)62(72)70(84)88-4/h5-12,17-28,33-34,51-52,59-62H,13-16,29-32H2,1-4H3
InChI key： XHZUVGNYDSPBAF-UHFFFAOYSA-N
SMILES： COC(=O)C1C2c3ccccc3C(CCCCn3c(=O)c4ccc5c6c(Br)cc7c8c(ccc(c9c(Br)cc(c4c59)c3=O)c68)c(=O)n(CCCCC34C(C(C(c5ccccc35)c3ccccc43)C(=O)OC)C(=O)OC)c7=O)(C1C(=O)OC)c1ccccc21
Systematic name  (3)：
  • 9,9′-[[6,13-ジブロモ-1,3,8,10-テトラオキソ-1,2,3,8,9,10-ヘキサヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-2,9-ジイル]ビステトラメチレン]ビス(9,10-エタノ-9,10-ジヒドロアントラセン-11,12-ジカルボン酸ジメチル)
  • 15,16-ジメチル 1-[4-(18-{4-[15,16-ビス(メトキシカルボニル)テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-1-イル]ブチル}-11,22-ジブロモ-6,8,17,19-テトラオキソ-7,18-ジアザヘプタシクロ[14.6.2.22,5.03,12.04,9.013,23.020,24]ヘキサコサ-1(22),2(26),3,5(25),9,11,13,15,20,23-デカエン-7-イル)ブチル]テトラシクロ[6.6.2.02,7.09,14]ヘキサデカ-2,4,6,9,11,13-ヘキサエン-15,16-ジカルボキシラート
  • 15,16-dimethyl 1-[4-(18-{4-[15,16-bis(methoxycarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-yl]butyl}-11,22-dibromo-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl)butyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxylate
Other name (1)：
  • 9,9′-[[6,13-Dibromo-1,3,8,10-tetraoxo-1,2,3,8,9,10-hexahydroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-2,9-diyl]bistetramethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester
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