cyclopentane; iron(2+); 2-[(E)-2-[4-[2-[4-[(E)-2-(2-methanoylcyclopentyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]cyclopentane-1-carbaldehyde

Systemtic Name: cyclopentane; iron(2+); 2-[(E)-2-[4-[2-[4-[(E)-2-(2-methanoylcyclopentyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]cyclopentane-1-carbaldehyde Openeye Name: diferrous; cyclopentane; 2-[(E)-2-[4-[2-[4-[(E)-2-(2-formylcyclopentyl)vinyl]phenyl]ethynyl]phenyl]vinyl]cyclopentanecarbaldehyde CAS Name: cyclopentane; 2-[(E)-2-[4-[2-[4-[(E)-2-(2-formylcyclopentyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]-1-cyclopentanecarboxaldehyde; iron(2+) IUPAC Name: cyclopentane; 2-[(E)-2-[4-[2-[4-[(E)-2-(2-formylcyclopentyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]cyclopentane-1-carbaldehyde; iron(2+) Traditional Name: diferrous; cyclopentane; 2-[(E)-2-[4-[2-[4-[(E)-2-(2-formylcyclopentyl)vinyl]phenyl]ethynyl]phenyl]vinyl]cyclopentanecarbaldehyde Formula: C40H30Fe2O2+4 MolecularWeight: 654.355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C[C]2[CH][CH][CH][C]2C=O)C#CC3=CC=C(C=C3)C=C[C]4[CH][CH][CH][C]4C=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC(=CC=C1/C=C/[C]2[C]([CH][CH][CH]2)C=O)C#CC3=CC=C(C=C3)/C=C/[C]4[C]([CH][CH][CH]4)C=O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C30H20O2.2C5H5.2Fe/c31-21-29-5-1-3-27(29)19-17-25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)18-20-28-4-2-6-30(28)22-32;2*1-2-4-5-3-1;;/h1-6,9-22H;2*1-5H;;/q;;;2*+2