Cobalt-precorrin 3
Molecular Formula:
C43H48CoN4O16+
InChI: InChI=1/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h14-16,20,22,24-25H,4-13,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+3/p-1/b26-14-,41-19-;/t20u,22u,24-,25-,42+,43+;/m1./s1/fC43H48N4O16.Co/h48,50,52,54,56,58,60,62H;/q-2;m/b26-14-,29-15-,31-16-,41-19-;
InChIKey: InChIKey=SCRTWALDGOSJEZ-MGMYPCACDN
SMILES: CC1=C2C(C(C(=N2)C=C3C(C(C(=CC4=NC(=CC5=C(C(=C1[N-]5)CC(=O)O)CCC(=O)O)C(C4CC(=O)O)CCC(=O)O)[N-]3)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O.[Co+3]
Names:
Cobalt-precorrin 3
C11539
Registries:
PubChem CID 443253
PubChem ID 13706
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