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Details

Stereochemistry ACHIRAL
Molecular Formula C60
Molecular Weight 720.642
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUCKMINSTERFULLERENE

SMILES

C12=C3C4=C5C6=C1C7=C8C9=C6C%10=C%11C%12=C9C%13=C%14C%15=C%16C(C%17=C7C2=C%18C%19=C3C%20=C%21C%22=C%19C%23=C%24C(=C%16C%17=C%18%23)C%25=C%15C%26=C%27C%28=C(C%11=C%29C(=C5%10)C(=C4%20)C%30=C%21C%31=C(C%28=C%29%30)C%27=C%25C%24=C%22%31)C%12=C%14%26)=C8%13

InChI

InChIKey=XMWRBQBLMFGWIX-UHFFFAOYSA-N
InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59

HIDE SMILES / InChI

Molecular Formula C60H2
Molecular Weight 722.6579
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
NP9U26B839
Record Status Validated (UNII)
Record Version