cyclopentane; iron(2+); methyl 2-cyclopentyl-3,4,5,6-tetraethyl-benzoate

Systemtic Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-3,4,5,6-tetraethyl-benzoate Openeye Name: ferrous; cyclopentane; methyl 2-cyclopentyl-3,4,5,6-tetraethyl-benzoate CAS Name: cyclopentane; 2-cyclopentyl-3,4,5,6-tetraethylbenzoic acid methyl ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); methyl 2-cyclopentyl-3,4,5,6-tetraethylbenzoate Traditional Name: ferrous; cyclopentane; 2-cyclopentyl-3,4,5,6-tetraethyl-benzoic acid methyl ester Formula: C26H32FeO2+2 MolecularWeight: 432.37608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1CC)CC)C(=O)OC)[C]2[CH][CH][CH][CH]2)CC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCC1=C(C(=C(C(=C1CC)CC)C(=O)OC)[C]2[CH][CH][CH][CH]2)CC.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H27O2.C5H5.Fe/c1-6-15-16(7-2)18(9-4)20(21(22)23-5)19(17(15)8-3)14-12-10-11-13-14;1-2-4-5-3-1;/h10-13H,6-9H2,1-5H3;1-5H;/q;;+2