CHEBI:33195 - C70 fullerene

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ChEBI Name C70 fullerene
ChEBI ID CHEBI:33195
ChEBI ASCII Name C70 fullerene
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C70
Net Charge 0
Average Mass 840.74900
Monoisotopic Mass 840.000
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
InChIKey ATLMFJTZZPOKLC-UHFFFAOYSA-N
SMILES c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c7c2c2c7c8c3c3c8c9c4c4c9c%10c5c5c1c1c6c6c%10c%11c2c2c%11c7c3c3c%11c7c(c%102)c2c6c1c1c5c9c5c6c4c8c3c6c7c2c15
ChEBI Ontology
Outgoing C70 fullerene (CHEBI:33195) is a fullerene (CHEBI:33416)
IUPAC Name
(C70-D5h(6))[5,6]fullerene
Synonyms Sources
[70-D5h]fullerene IUPAC
C70 fullerene ChemIDplus
fullerene 70 ChemIDplus
fullerene C70 ChemIDplus
rugbyballene ChEBI
Registry Numbers Types Sources
115383-22-7 CAS Registry Number ChemIDplus
115383-22-7 CAS Registry Number NIST Chemistry WebBook
6843004 Beilstein Registry Number Beilstein
Last Modified
02 June 2006