Chem
J-GLOBAL ID：201607020056631077   Nikkaji number：J3.466.836A

2,9-Dioctyl-4,7,11,14-tetrakis(phenylthio)-5,6,12,13-tetrachloroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone

2,9-ジオクチル-4,7,11,14-テトラキス(フェニルチオ)-5,6,12,13-テトラクロロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-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： C64H54Cl4N2O4S4
Molecular formula furigana： C64-H54-CL4-N2-O4-S4
Molecular weight： 1185.190
InChI： InChI=1S/C64H54Cl4N2O4S4/c1-3-5-7-9-11-25-35-69-61(71)49-43-41-45(53(65)57(49)75-37-27-17-13-18-28-37)47-42-44-51(59(55(47)67)77-39-31-21-15-22-32-39)63(73)70(36-26-12-10-8-6-4-2)64(74)52(44)60(78-40-33-23-16-24-34-40)56(68)48(42)46(41)54(66)58(50(43)62(69)72)76-38-29-19-14-20-30-38/h13-24,27-34H,3-12,25-26,35-36H2,1-2H3
InChI key： LKMJNWQSZCGXFF-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c(=O)c2c(Sc3ccccc3)c(Cl)c3c4c(Cl)c(Sc5ccccc5)c5c6c(c(Sc7ccccc7)c(Cl)c(c7c(Cl)c(Sc8ccccc8)c(c2c37)c1=O)c46)c(=O)n(CCCCCCCC)c5=O
Systematic name  (3)：
  • 2,9-ジオクチル-4,7,11,14-テトラキス(フェニルチオ)-5,6,12,13-テトラクロロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン
  • 11,14,22,26-テトラクロロ-7,18-ジオクチル-10,15,21,25-テトラキス(フェニルスルファニル)-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
  • 11,14,22,26-tetrachloro-7,18-dioctyl-10,15,21,25-tetrakis(phenylsulfanyl)-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-Dioctyl-4,7,11,14-tetrakis(phenylthio)-5,6,12,13-tetrachloroanthra[2,1,9-def:6,5,10-d′e′f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
Thsaurus map：
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