tert-butyl (E)-2,3-di(cyclopentyl)-3-deuterio-prop-2-enoate; cyclopentane; iron(2+)

Systemtic Name: tert-butyl (E)-2,3-di(cyclopentyl)-3-deuterio-prop-2-enoate; cyclopentane; iron(2+) Openeye Name: diferrous; tert-butyl (E)-2,3-di(cyclopentyl)-3-deuterio-prop-2-enoate; cyclopentane CAS Name: cyclopentane; (E)-2,3-di(cyclopentyl)-3-deuterio-2-propenoic acid tert-butyl ester; iron(2+) IUPAC Name: tert-butyl (E)-2,3-di(cyclopentyl)-3-deuterioprop-2-enoate; cyclopentane; iron(2+) Traditional Name: diferrous; cyclopentane; (E)-2,3-di(cyclopentyl)-3-deuterio-acrylic acid tert-butyl ester Formula: C27H28Fe2O2+4 MolecularWeight: 497.206182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]/C(=C(/[C]1[CH][CH][CH][CH]1)\C(=O)OC(C)(C)C)/[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C17H18O2.2C5H5.2Fe/c1-17(2,3)19-16(18)15(14-10-6-7-11-14)12-13-8-4-5-9-13;2*1-2-4-5-3-1;;/h4-12H,1-3H3;2*1-5H;;/q;;;2*+2/i12D;;;;