cyclopentane; ditert-butyl 5-cyclopentylcarbonyloxybenzene-1,3-dicarboxylate; iron(2+)

Systemtic Name: cyclopentane; ditert-butyl 5-cyclopentylcarbonyloxybenzene-1,3-dicarboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ditert-butyl 5-(cyclopentanecarbonyloxy)benzene-1,3-dicarboxylate CAS Name: cyclopentane; 5-[cyclopentyl(oxo)methoxy]benzene-1,3-dicarboxylic acid ditert-butyl ester; iron(2+) IUPAC Name: cyclopentane; ditert-butyl 5-(cyclopentanecarbonyloxy)benzene-1,3-dicarboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 5-(cyclopentanecarbonyloxy)benzene-1,3-dicarboxylic acid ditert-butyl ester Formula: C27H30FeO6+2 MolecularWeight: 506.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC(=C1)OC(=O)[C]2[CH][CH][CH][CH]2)C(=O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC(=C1)OC(=O)[C]2[CH][CH][CH][CH]2)C(=O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H25O6.C5H5.Fe/c1-21(2,3)27-19(24)15-11-16(20(25)28-22(4,5)6)13-17(12-15)26-18(23)14-9-7-8-10-14;1-2-4-5-3-1;/h7-13H,1-6H3;1-5H;/q;;+2