cyclopentane; hexa-1,3-dien-5-yne; iron(3+)

Systemtic Name: cyclopentane; hexa-1,3-dien-5-yne; iron(3+) Openeye Name: triferric; cyclopentane; hexa-1,3-dien-5-yne CAS Name: cyclopentane; hexa-1,3-dien-5-yne; iron(3+) IUPAC Name: cyclopentane; hexa-1,3-dien-5-yne; iron(3+) Traditional Name: triferric; cyclopentane; hexa-1,3-dien-5-yne Formula: C36H33Fe3+6 MolecularWeight: 633.18222

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]=C[C-]=CC#[C-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3].[Fe+3].[Fe+3]

Isomeric SMILES

[CH-]=C[C-]=CC#[C-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+3].[Fe+3].[Fe+3]

InChI

InChI=1S/C6H3.6C5H5.3Fe/c1-3-5-6-4-2;6*1-2-4-5-3-1;;;/h1,3,6H;6*1-5H;;;/q-3;;;;;;;3*+3