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描述
Band gap: 1.68 eV
质量水平
方案
97%
表单
solid
溶解性
chloroform: soluble
dichlorobenzene: soluble
轨道能量
HOMO -5.58 eV
LUMO -3.9 eV
SMILES字符串
S1\C(=C/c2c3n[s]nc3c(cc2)c4[s]c5c(c4)C(c6c5cc7c(c6)c8[s]c(cc8C7(CC(CCCC)CC)CC(CCCC)CC)c9c%10n[s]nc%10c(cc9)\C=C%11/SC(=S)N(C/%11=O)CC)(CC(CCCC)CC)CC(CCCC)CC)\C(=O)N(C1=S)CC
InChI
1S/C72H88N6O2S8/c1-11-21-25-43(15-5)39-71(40-44(16-6)26-22-12-2)53-35-52-54(36-51(53)65-55(71)37-57(83-65)49-31-29-47(61-63(49)75-87-73-61)33-59-67(79)77(19-9)69(81)85-59)72(41-45(17-7)27-23-13-3,42-46(18-8)28-24-14-4)56-38-58(84-66(52)56)50-32-30-48(62-6
InChI key
HKJHYTKBDDVGRK-IOUDQCQMSA-N
应用
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
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