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cobalt(3+); (3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-2,3-dihydropyrrol-2-yl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4,5-dimethyl-3H-pyrrol-2-yl]ethylidene]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-3H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4,4-dimethyl-3H-pyrrol-2-olate; dicyanide

Systemtic Name:	cobalt(3+); (3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-2,3-dihydropyrrol-2-yl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4,5-dimethyl-3H-pyrrol-2-yl]ethylidene]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-3H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxidanylidene-propyl)-4,4-dimethyl-3H-pyrrol-2-olate; dicyanide
Openeye Name:	cobaltic (3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-acetyl-3-(2-methoxy-2-oxo-ethyl)-4-(3-methoxy-3-oxo-propyl)-4-methyl-2,3-dihydropyrrol-2-yl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-4,5-dimethyl-3H-pyrrol-2-yl]ethylidene]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-4-methyl-3H-pyrrol-2-yl]methylene]-3-(3-methoxy-3-oxo-propyl)-4,4-dimethyl-3H-pyrrol-2-olate dicyanide
CAS Name:	(3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-acetyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-4-methyl-2,3-dihydropyrrol-2-yl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-4,5-dimethyl-3H-pyrrol-2-yl]ethylidene]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-3H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4,4-dimethyl-3H-pyrrol-2-olate; cobalt(3+); dicyanide
IUPAC Name:	(3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-acetyl-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-4-methyl-2,3-dihydropyrrol-2-yl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-4,5-dimethyl-3H-pyrrol-2-yl]ethylidene]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-3H-pyrrol-2-yl]methylidene]-3-(3-methoxy-3-oxopropyl)-4,4-dimethyl-3H-pyrrol-2-olate; cobalt(3+); dicyanide
Traditional Name:	cobaltic (3S,5Z)-5-[[(3S,4S,5Z)-5-[1-[(3S,4S,5R)-5-[(2R,3R,4R)-5-acetyl-3-(2-keto-2-methoxy-ethyl)-4-(3-keto-3-methoxy-propyl)-4-methyl-1-pyrrolin-2-yl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-4,5-dimethyl-1-pyrrolin-2-yl]ethylidene]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-4-methyl-1-pyrrolin-2-yl]methylene]-3-(3-keto-3-methoxy-propyl)-4,4-dimethyl-1-pyrrolin-2-olate dicyanide
Formula:	C₅₄H₇₃CoN₆O₁₆
MolecularWeight:	1137.061556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(C(C(=N1)C=C2C(C(C(=N2)[O-])CCC(=O)OC)(C)C)CCC(=O)OC)(C)CC(=O)OC)C3=NC(C(C3CCC(=O)OC)(C)CC(=O)OC)(C)C4C(C(C(=N4)C(=O)C)(C)CCC(=O)OC)CC(=O)OC.[C-]#N.[C-]#N.[Co+3]

Isomeric SMILES

C/C(=[14C]/1\[C@@]([14C@@H](C(=N1)/C=[14C]\2/C([14C@@H](C(=N2)[O-])CCC(=O)OC)(C)C)CCC(=O)OC)(C)CC(=O)OC)/C3=N[14C@@]([C@@]([14C@@H]3CCC(=O)OC)(C)CC(=O)OC)(C)[14C@H]4[C@@H]([14C@@](C(=N4)C(=O)C)(C)CCC(=O)OC)CC(=O)OC.[C-]#N.[C-]#N.[Co+3]

InChI

InChI=1S/C52H74N4O16.2CN.Co/c1-28(44-50(6,26-41(63)71-14)30(16-19-36(58)66-9)34(53-44)25-35-48(3,4)32(47(65)54-35)18-21-38(60)68-11)43-31(17-20-37(59)67-10)51(7,27-42(64)72-15)52(8,56-43)46-33(24-40(62)70-13)49(5,23-22-39(61)69-12)45(55-46)29(2)57;2*1-2;/h25,30-33,46H,16-24,26-27H2,1-15H3,(H,54,65);;;/q;2*-1;+3/p-1/b35-25-,44-28-;;;/t30-,31-,32-,33+,46-,49-,50+,51+,52+;;;/m1.../s1/i30+2,31+2,32+2,35+2,44+2,46+2,49+2,52+2;;;

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