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化学结构 |
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化学式 |
C80H54N6 |
CAS号 |
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IUPAC Name |
75,80-二乙基-15,26,51,62,75,80-hexazanonadecacyclo[67.3.1.14,8.116,20.119,22.121,25.133,37.140,44.152,56.155,58.157,61.07,15.09,14.026,34.027,32.043,51.045,50.062,70.063,68]dooctaconta-1(73),2,4(82),5,7,9,11,13,16(81),17,19,21,23,25(79),27,29,31,33,35,37(78) 75,80-diethyl-15,26,51,62,75,80-hexazanonadecacyclo[67.3.1.14,8.116,20.119,22.121,25.133,37.140,44.152,56.155,58.157,61.07,15.09,14.026,34.027,32.043,51.045,50.062,70.063,68]dooctaconta-1(73),2,4(82),5,7,9,11,13,16(81),17,19,21,23,25(79),27,29,31,33,35,37(78),38,40(77),41,43,45,47,49,52(76),53,55,57,59,61(74),63,65,67,69,71-octatriacontaene |
InChI |
InChI=1S/C80H54N6/c1-3-81-69-37-29-53-45-65(69)66-46-54(30-38-70(66)81)84-74-18-10-6-14-58(74)62-42-50(26-34-78(62)84)22-24-52-28-36-80-64(44-52)60-16-8-12-20-76(60)86(80)56-32-40-72-68(48-56)67-47-55(31-39-71(67)82(72)4-2)85-75-19-11-7-15-59(75)63-43-51(27-35-79(63)85)23-21-49-25-33-77-61(41-49)57-13-5-9-17-73(57)83(53)77/h5-48H,3-4H2,1-2H3 |
InChI Key |
WYCPXGHHDJDHAG-UHFFFAOYSA-N |
Canonical SMILES |
CCN1C2=C3C=C(C=C2)N4C5=C(C=C(C=CC6=CC7=C(C=C6)N(C8=CC9=C(C=C8)N(C2=C9C=C(C=C2)N2C6=C(C=C(C=CC8=CC9=C(C=C8)N(C8=CC3=C1C=C8)C1=CC=CC=C19)C=C6)C1=CC=CC=C12)CC)C1=CC=CC=C17)C=C5)C1=CC=CC=C14 |
别名 |
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