C70 fullerene (CHEBI:33195)

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CHEBI:33195 - C₇₀ fullerene

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ChEBI ID	CHEBI:33195
ChEBI Name	C₇₀ fullerene
Stars
ASCII Name	C70 fullerene
Last Modified	1 June 2006
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C70
Net Charge	0
Average Mass	840.770
Monoisotopic Mass	840.00000
SMILES	c12c3c4c5c1c1c6c7c2c2c8c3c3c9c4c4c%10c5c5c1c1c6c6c%11c%12c%13c%14c%15c%16c%17c%14c%14c%18c%13c%11c1c1c5c%10c5c(c%14c%10c%17c%11c%13c%16c%14c%16c%15c%12c%12c%16c(c2c7c%126)c2c8c3c(c%13c%142)c2c9c4c5c%10c%112)c%181
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

ChEBI Ontology

Outgoing Relation(s)
	C₇₀ fullerene (CHEBI:33195) is a fullerene (CHEBI:33416)

IUPAC Name
(C₇₀-D_5h(6))[5,6]fullerene

Synonyms	Source
fullerene C₇₀	ChemIDplus
[70-D_5h]fullerene	IUPAC
fullerene 70	ChemIDplus
C₇₀ fullerene	ChemIDplus
rugbyballene	ChEBI

Registry Numbers	Sources
Beilstein:6843004	Beilstein
CAS:115383-22-7	ChemIDplus
CAS:115383-22-7	NIST Chemistry WebBook