Cobalt-precorrin 6
Molecular Formula:
C44H53CoN4O16+
InChI: InChI=1/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-1/t23-,40-,41+,42+,43+,44+;/m1./s1/fC44H53N4O16.Co/h49,51,53,55,57,59,61,63H;/q-1;m/b27-17-;
InChIKey: InChIKey=DFFFCFUPOVLDTP-KRSXJYRXDY
SMILES: CC12CC3=C(C(C(=N3)C=C4C(C(C([N-]4)(C5=C(C(C(=N5)CC(=N1)C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O.[Co+2]
Names:
Cobalt-precorrin 6
C11542
Registries:
PubChem CID 5281938
PubChem ID 13709
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