cobalt; methyl cyclopenta-1,4-diene-1-carboxylate; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene

Systemtic Name: cobalt; methyl cyclopenta-1,4-diene-1-carboxylate; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Openeye Name: cobalt; methyl cyclopenta-1,4-diene-1-carboxylate; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene CAS Name: cobalt; 1-cyclopenta-1,4-dienecarboxylic acid methyl ester; (2,3,4-triphenyl-1-cyclobuta-1,3-dienyl)benzene IUPAC Name: cobalt; methyl cyclopenta-1,4-diene-1-carboxylate; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Traditional Name: cobalt; cyclopenta-1,4-diene-1-carboxylic acid methyl ester; (2,3,4-triphenylcyclobuta-1,3-dien-1-yl)benzene Formula: C35H28CoO2 MolecularWeight: 539.52882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC=C1.C1=CC=C(C=C1)C2=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Co]

Isomeric SMILES

COC(=O)C1=CCC=C1.C1=CC=C(C=C1)C2=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Co]

InChI

InChI=1S/C28H20.C7H8O2.Co/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-9-7(8)6-4-2-3-5-6;/h1-20H;2,4-5H,3H2,1H3;