cobalt(3+); ethyl (5Z)-5-[(5-chloranyl-3-ethoxycarbonyl-4-methyl-pyrrol-1-id-2-yl)methylidene]-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: cobalt(3+); ethyl (5Z)-5-[(5-chloranyl-3-ethoxycarbonyl-4-methyl-pyrrol-1-id-2-yl)methylidene]-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: cobaltic ethyl (5Z)-5-[(5-chloro-3-ethoxycarbonyl-4-methyl-pyrrol-1-id-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: (5Z)-5-[(5-chloro-3-ethoxycarbonyl-4-methyl-2-pyrrol-1-idyl)methylidene]-2,4-dimethyl-3-pyrrolecarboxylic acid ethyl ester; cobalt(3+) IUPAC Name: cobalt(3+); ethyl (5Z)-5-[(5-chloro-3-ethoxycarbonyl-4-methylpyrrol-1-id-2-yl)methylidene]-2,4-dimethylpyrrole-3-carboxylate Traditional Name: cobaltic (5Z)-5-[(3-carbethoxy-5-chloro-4-methyl-pyrrol-1-id-2-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C36H40Cl2CoN4O8+ MolecularWeight: 786.564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(C(=C([N-]2)Cl)C)C(=O)OCC)N=C1C)C.CCOC(=O)C1=C(C(=CC2=C(C(=C([N-]2)Cl)C)C(=O)OCC)N=C1C)C.[Co+3]

Isomeric SMILES

CCOC(=O)C1=C(/C(=C/C2=C(C(=C([N-]2)Cl)C)C(=O)OCC)/N=C1C)C.CCOC(=O)C1=C(/C(=C/C2=C(C(=C([N-]2)Cl)C)C(=O)OCC)/N=C1C)C.[Co+3]

InChI

InChI=1S/2C18H21ClN2O4.Co/c2*1-6-24-17(22)14-9(3)12(20-11(14)5)8-13-15(18(23)25-7-2)10(4)16(19)21-13;/h2*8H,6-7H2,1-5H3,(H,20,21,22,23);/q;;+3/p-2