circumcircumpyrene

Properties Image MNX_ID MNXM46882 reference chebi:51399 formula C80H22 global charge 0 mol weight 983.056 InChIKey NGMKMSWTTZJHFL-UHFFFAOYSA-N InChI InChI=1S/C80H22/c1-5-27-15-35-19-31-9-10-32-21-37-17-29-7-3-25-14-26-4-8-30-18-38-22-34-12-11-33-20-36-16-28-6-2-24-13-23(1)39-43(27)57-51(35)61-47(31)48(32)63-53(37)59-45(29)41(25)56-42(26)46(30)60-54(38)64-50(34)49(33)62-52(36)58-44(28)40(24)55(39)65-67(57)75-71(61)73(63)77-69(59)66(56)70(60)78-74(64)72(62)76(68(58)65)79(75)80(77)78/h1-22H SMILES C1=CC2=CC3=C4C5=C6C7=C8C9=C%10C(=CC=C%11C=C1C(=C25)C7=C%11%10)C=C1C=C2C=CC5=CC7=CC%10=CC=C%11C=C%12C=CC%13=C%14C%12=C%12C%11=C%10C%10=C7C7=C%11C(=C8C8=C6C6=C4C4=C%15C(=CC(=C%13)C%13=C%15C6=C6C(=C%14%13)C%12=C%10C%11=C68)C=CC4=C3)C(=C19)C2=C57 MNX internals InChI (mnx) InChI=1/C80H22/c1-5-27-15-35-19-31-9-10-32-21-37-17-29-7-3-25-14-26-4-8-30-18-38-22-34-12-11-33-20-36-16-28-6-2-24-13-23(1)39-43(27)57-51(35)61-47(31)48(32)63-53(37)59-45(29)41(25)56-42(26)46(30)60-54(38)64-50(34)49(33)62-52(36)58-44(28)40(24)55(39)65-67(57)75-71(61)73(63)77-69(59)66(56)70(60)78-74(64)72(62)76(68(58)65)79(75)80(77)78/h1-22H SMILES (mnx) [CH:1]1=[CH:5][C:27]2=[CH:15][C:35]3=[CH:19][C:31]4=[CH:9][CH:10]=[C:32]5[CH:21]=[C:37]6[CH:17]=[C:29]7[CH:7]=[CH:3][C:25]8=[CH:14][C:26]9=[CH:4][CH:8]=[C:30]%10[CH:18]=[C:38]%11[CH:22]=[C:34]%12[CH:12]=[CH:11][C:33]%13=[CH:20][C:36]%14=[CH:16][C:28]%15=[CH:6][CH:2]=[C:24]%16[CH:13]=[C:23]1[C:39]1=[C:43]2[C:57]2=[C:51]3[C:61]3=[C:47]4[C:48]5=[C:63]4[C:53]6=[C:59]5[C:45]7=[C:41]8[C:56]6=[C:42]9[C:46]%10=[C:60]7[C:54]%11=[C:64]8[C:50]%12=[C:49]%13[C:62]9=[C:52]%14[C:58]%10=[C:44]%15[C:40]%16=[C:55]1[C:65]1=[C:67]2[C:75]2=[C:71]3[C:73]4=[C:77]3[C:69]5=[C:66]6[C:70]7=[C:78]4[C:74]8=[C:72]9[C:76](=[C:68]%101)[C:79]2=[C:80]34

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0