3-cyclopentyl-4-(3,5-dicyclopentyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; manganese(2+)

Systemtic Name: 3-cyclopentyl-4-(3,5-dicyclopentyl-4-oxidanyl-phenyl)carbonyloxy-benzoate; manganese(2+) Openeye Name: manganous 3-cyclopentyl-4-(3,5-dicyclopentyl-4-hydroxy-benzoyl)oxy-benzoate CAS Name: 3-cyclopentyl-4-[(3,5-dicyclopentyl-4-hydroxyphenyl)-oxomethoxy]benzoate; manganese(2+) IUPAC Name: 3-cyclopentyl-4-(3,5-dicyclopentyl-4-hydroxybenzoyl)oxybenzoate; manganese(2+) Traditional Name: manganous 3-cyclopentyl-4-(3,5-dicyclopentyl-4-hydroxy-benzoyl)oxy-benzoate Formula: C58H66MnO10 MolecularWeight: 978.076689

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC(=CC(=C2O)C3CCCC3)C(=O)OC4=C(C=C(C=C4)C(=O)[O-])C5CCCC5.C1CCC(C1)C2=CC(=CC(=C2O)C3CCCC3)C(=O)OC4=C(C=C(C=C4)C(=O)[O-])C5CCCC5.[Mn+2]

Isomeric SMILES

C1CCC(C1)C2=CC(=CC(=C2O)C3CCCC3)C(=O)OC4=C(C=C(C=C4)C(=O)[O-])C5CCCC5.C1CCC(C1)C2=CC(=CC(=C2O)C3CCCC3)C(=O)OC4=C(C=C(C=C4)C(=O)[O-])C5CCCC5.[Mn+2]

InChI

InChI=1S/2C29H34O5.Mn/c2*30-27-24(19-9-3-4-10-19)16-22(17-25(27)20-11-5-6-12-20)29(33)34-26-14-13-21(28(31)32)15-23(26)18-7-1-2-8-18;/h2*13-20,30H,1-12H2,(H,31,32);/q;;+2/p-2