4,6-bis(2-cyclopentylethynyl)pyran-2-one; cyclopentane; iron(2+)

Systemtic Name: 4,6-bis(2-cyclopentylethynyl)pyran-2-one; cyclopentane; iron(2+) Openeye Name: diferrous; 4,6-bis(2-cyclopentylethynyl)pyran-2-one; cyclopentane CAS Name: 4,6-bis(2-cyclopentylethynyl)-2-pyranone; cyclopentane; iron(2+) IUPAC Name: 4,6-bis(2-cyclopentylethynyl)pyran-2-one; cyclopentane; iron(2+) Traditional Name: diferrous; 4,6-bis(2-cyclopentylethynyl)pyran-2-one; cyclopentane Formula: C29H20Fe2O2+4 MolecularWeight: 512.1579

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Descriptors Computed from Structure

Canonical SMILES:

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C#CC2=CC(=O)OC(=C2)C#C[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

Isomeric SMILES

[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([CH]1)C#CC2=CC(=O)OC(=C2)C#C[C]3[CH][CH][CH][CH]3.[Fe+2].[Fe+2]

InChI

InChI=1S/C19H10O2.2C5H5.2Fe/c20-19-14-17(10-9-15-5-1-2-6-15)13-18(21-19)12-11-16-7-3-4-8-16;2*1-2-4-5-3-1;;/h1-8,13-14H;2*1-5H;;/q;;;2*+2