Cobalt-precorrin 4
Molecular Formula:
C44H51CoN4O16+
InChI: InChI=1/C44H52N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15-17,20,22-25H,5-14,18-19H2,1-4H3,(H8,45,46,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/b30-16-;/t20u,22u,23-,24-,25u,41-,42+,43+,44?;/m1./s1/fC44H51N4O16.Co/h49,51,53,55,57,59,61H;/q-1;m/b28-15-,30-16-,31-17-;
InChIKey: InChIKey=MPGMCAOIICAHTP-NMPCZREFDR
SMILES: CC1C23C4=NC(=CC5=C(C(C(=N5)C=C6C(C(C(=CC(=N2)C(C3(CC(=O)O1)C)CCC(=O)O)[N-]6)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)C(C4CC(=O)O)(C)CCC(=O)O.[Co+2]
Names:
Cobalt-precorrin 4
C11540
Registries:
PubChem CID 5281934
PubChem ID 13707
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