cobalt; cyclopenta-1,3-diene; tetramethyl 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylate

Systemtic Name: cobalt; cyclopenta-1,3-diene; tetramethyl 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylate Openeye Name: cobalt; cyclopenta-1,3-diene; tetramethyl 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylate CAS Name: cobalt; cyclopenta-1,3-diene; 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylic acid tetramethyl ester IUPAC Name: cobalt; cyclopenta-1,3-diene; tetramethyl 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylate Traditional Name: cobalt; cyclopenta-1,3-diene; 4,6-diphenylcyclohexa-3,5-diene-1,2,3,5-tetracarboxylic acid tetramethyl ester Formula: C31H29CoO8- MolecularWeight: 588.49036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=C(C(=C1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3)C(=O)OC)C(=O)OC.[CH-]1C=CC=C1.[Co]

Isomeric SMILES

COC(=O)C1C(C(=C(C(=C1C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3)C(=O)OC)C(=O)OC.[CH-]1C=CC=C1.[Co]

InChI

InChI=1S/C26H24O8.C5H5.Co/c1-31-23(27)19-17(15-11-7-5-8-12-15)20(24(28)32-2)22(26(30)34-4)21(25(29)33-3)18(19)16-13-9-6-10-14-16;1-2-4-5-3-1;/h5-14,20,22H,1-4H3;1-5H;/q;-1;