cobalt(3+); methyl 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-methoxy-2-oxidanylidene-ethyl)-3,13-bis(3-methoxy-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate; dicyanide

Systemtic Name: cobalt(3+); methyl 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-methoxy-2-oxidanylidene-ethyl)-3,13-bis(3-methoxy-3-oxidanylidene-propyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate; dicyanide Openeye Name: cobaltic methyl 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-methoxy-2-oxo-ethyl)-3,13-bis(3-methoxy-3-oxo-propyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate dicyanide CAS Name: cobalt(3+); 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-methoxy-2-oxoethyl)-3,13-bis(3-methoxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoic acid methyl ester; dicyanide IUPAC Name: cobalt(3+); methyl 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-methoxy-2-oxoethyl)-3,13-bis(3-methoxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propanoate; dicyanide Traditional Name: cobaltic 3-[(5Z,10Z,15Z)-17-(2-cyanoethyl)-2,7,18-tris(2-keto-2-methoxy-ethyl)-3,13-bis(3-keto-3-methoxy-propyl)-1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-24-id-8-yl]propionic acid methyl ester dicyanide Formula: C53H70CoN7O12 MolecularWeight: 1056.0958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)OC)(C)C)CCC(=O)OC)(C)CC(=O)OC)C)CCC(=O)OC)(C)CC(=O)OC)C)CC(=O)OC)(C)CCC#N.[C-]#N.[C-]#N.[Co+3]

Isomeric SMILES

C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)OC)(C)C)CCC(=O)OC)(C)CC(=O)OC)/C)CCC(=O)OC)(C)CC(=O)OC)C)CC(=O)OC)(C)CCC#N.[C-]#N.[C-]#N.[Co+3]

InChI

InChI=1S/C51H70N5O12.2CN.Co/c1-28-42-31(17-20-37(58)64-10)47(3,4)35(54-42)25-34-30(16-19-36(57)63-9)49(6,26-40(61)67-13)45(53-34)29(2)43-32(18-21-38(59)65-11)50(7,27-41(62)68-14)51(8,56-43)46-33(24-39(60)66-12)48(5,22-15-23-52)44(28)55-46;2*1-2;/h25,30-33,46H,15-22,24,26-27H2,1-14H3;;;/q3*-1;+3