1,4-ditert-butyl-2-prop-2-enyl-cyclopentane; iron(2+); 2-methylprop-2-enylcyclopentane

Systemtic Name: 1,4-ditert-butyl-2-prop-2-enyl-cyclopentane; iron(2+); 2-methylprop-2-enylcyclopentane Openeye Name: ferrous; 1-allyl-2,4-ditert-butyl-cyclopentane; 2-methylallylcyclopentane CAS Name: 1,4-ditert-butyl-2-prop-2-enylcyclopentane; iron(2+); 2-methylprop-2-enylcyclopentane IUPAC Name: 1,4-ditert-butyl-2-prop-2-enylcyclopentane; iron(2+); 2-methylprop-2-enylcyclopentane Traditional Name: ferrous; 1-allyl-2,4-ditert-butyl-cyclopentane; 2-methylallylcyclopentane Formula: C25H36Fe+2 MolecularWeight: 392.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25.C9H11.Fe/c1-8-9-12-10-13(15(2,3)4)11-14(12)16(5,6)7;1-8(2)7-9-5-3-4-6-9;/h8,10-11H,1,9H2,2-7H3;3-6H,1,7H2,2H3;/q;;+2