Chem
J-GLOBAL ID：201007077109464396   Nikkaji number：J2.889.757J

9,9′-[[6,13-Dicyano-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]bistrimethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester

9,9′-[[6,13-ジシアノ-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]ビストリメチレン]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： C72H52N4O12
Molecular formula furigana： C72-H52-N4-O12
Molecular weight： 1165.224
InChI： InChI=1S/C72H52N4O12/c1-85-67(81)59-53-37-15-5-9-19-47(37)71(61(59)69(83)87-3,48-20-10-6-16-38(48)53)27-13-29-75-63(77)43-25-23-41-52-36(34-74)32-46-56-44(26-24-42(58(52)56)51-35(33-73)31-45(65(75)79)55(43)57(41)51)64(78)76(66(46)80)30-14-28-72-49-21-11-7-17-39(49)54(40-18-8-12-22-50(40)72)60(68(82)86-2)62(72)70(84)88-4/h5-12,15-26,31-32,53-54,59-62H,13-14,27-30H2,1-4H3
InChI key： GRDYOOHWZTZTHG-UHFFFAOYSA-N
SMILES： COC(=O)C1C2c3ccccc3C(CCCn3c(=O)c4ccc5c6c(cc7c8c(ccc(c9c(cc(c4c59)c3=O)C#N)c68)c(=O)n(CCCC34C(C(C(c5ccccc35)c3ccccc43)C(=O)OC)C(=O)OC)c7=O)C#N)(C1C(=O)OC)c1ccccc21
Systematic name  (3)：
  • 9,9′-[[6,13-ジシアノ-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]ビストリメチレン]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-[3-(18-{3-[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]プロピル}-11,22-ジシアノ-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)プロピル]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-[3-(18-{3-[15,16-bis(methoxycarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaen-1-yl]propyl}-11,22-dicyano-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)propyl]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-Dicyano-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]bistrimethylene]bis(9,10-ethano-9,10-dihydroanthracene-11,12-dicarboxylic acid dimethyl) ester
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