45107 <common-name>Buckyballs (Fullerene C-70)</common-name> <description nil="true"/> <cas>115383-22-7</cas> <pubchem-id nil="true"/> <chemical-formula>C70</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-06-03T11:32:50Z</created-at> <updated-at type="dateTime">2026-04-05T14:29:34Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C=12C3=C4C5=C6C=1C1=C7C8=C2C2=C9C%10=C8C8=C7C7=C%11C1=C6C1=C6C5=C5C4=C4C(=C32)C2=C9C3=C%10C9=C8C8=C7C7=C%10C%12=C%13C%14=C%15C(=C%12C1=C%11%10)C6=C1C%15=C6C%10=C%14C%11=C%12C(=C8C7=C%13%11)C9=C7C%12=C%10C8=C6C(C4=C2C8=C37)=C51</moldb-smiles> <moldb-formula>C70</moldb-formula> <moldb-inchi>InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64</moldb-inchi> <moldb-inchikey>ATLMFJTZZPOKLC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">840.77</moldb-average-mass> <moldb-mono-mass type="decimal">840.0</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM044002</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Zweckverband Landeswasserversorgung Langenau</stoff-ident-origin> <stoff-ident-id>SI00004674</stoff-ident-id> <susdat-id>NS00074155</susdat-id> <iupac>hexatriacontacyclo[20.13.33.1^{4,32}.1^{40,44}.0^{2,38}.0^{3,41}.0^{5,42}.0^{6,31}.0^{7,29}.0^{8,43}.0^{9,45}.0^{10,28}.0^{11,25}.0^{12,46}.0^{13,24}.0^{14,18}.0^{15,47}.0^{16,50}.0^{17,53}.0^{19,23}.0^{20,54}.0^{21,61}.0^{26,68}.0^{27,66}.0^{30,65}.0^{33,64}.0^{34,58}.0^{36,57}.0^{37,51}.0^{39,49}.0^{52,56}.0^{55,60}.0^{59,63}.0^{62,67}.0^{35,70}.0^{48,69}]heptaconta-1(35),2,4(70),5,7,9(45),10(28),11,13,15,17(53),18,20(54),21(61),22(68),23,25,27(66),29,31,33,36,38,40,42,44(69),46,48,50,52(56),55(60),57,59(63),62(67),64-pentatriacontaene</iupac> </compound>