Chem
J-GLOBAL ID:200907074462493278   Nikkaji number:J1.001.864A

2,9-Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)-3-yl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1(2H),3,8(9H),10-tetrone

2,9-ビス[(1,4,7,10,13,16-ヘキサオキサシクロオクタデカン)-3-イル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1(2H),3,8(9H),10-テトラオン
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: C48H54N2O16
Molecular formula furigana: C48-H54-N2-O16
Molecular weight: 914.958
InChI: InChI=1S/C48H54N2O16/c51-45-35-5-1-31-32-2-6-37-44-38(48(54)50(47(37)53)40-30-64-24-22-60-16-14-56-10-12-58-18-20-62-26-28-66-40)8-4-34(42(32)44)33-3-7-36(43(35)41(31)33)46(52)49(45)39-29-63-23-21-59-15-13-55-9-11-57-17-19-61-25-27-65-39/h1-8,39-40H,9-30H2
InChI key: ROQCNCYVRWVYQH-UHFFFAOYSA-N
SMILES: O=c1n(C2COCCOCCOCCOCCOCCO2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(C1COCCOCCOCCOCCOCCO1)c5=O
Systematic name  (3):
  • 2,9-ビス[(1,4,7,10,13,16-ヘキサオキサシクロオクタデカン)-3-イル]アントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1(2H),3,8(9H),10-テトラオン
  • 7,18-ビス(1,4,7,10,13,16-ヘキサオキサシクロオクタデカン-2-イル)-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-6,8,17,19-テトラオン
  • 7,18-bis(1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)-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-decaene-6,8,17,19-tetrone
Other name (1):
  • 2,9-Bis[(1,4,7,10,13,16-hexaoxacyclooctadecane)-3-yl]anthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1(2H),3,8(9H),10-tetrone
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