carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(4-methylphenyl)ethenyl]phosphane; cyclopentane; iron

Systemtic Name: carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(4-methylphenyl)ethenyl]phosphane; cyclopentane; iron Openeye Name: carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(p-tolyl)vinyl]phosphane; cyclopentane; iron CAS Name: carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(4-methylphenyl)ethenyl]phosphine; cyclopentane; iron IUPAC Name: carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(4-methylphenyl)ethenyl]phosphane; cyclopentane; iron Traditional Name: carbon monoxide; cyclohexyl-cyclopentyl-[(E)-2-(p-tolyl)vinyl]phosphine; cyclopentane; iron Formula: C28H29Fe2O3P MolecularWeight: 556.191821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CP(C2CCCCC2)[C]3[CH][CH][CH][CH]3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].[Fe]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/P(C2CCCCC2)[C]3[CH][CH][CH][CH]3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe].[Fe]

InChI

InChI=1S/C20H24P.C5H5.3CO.2Fe/c1-17-11-13-18(14-12-17)15-16-21(20-9-5-6-10-20)19-7-3-2-4-8-19;1-2-4-5-3-1;3*1-2;;/h5-6,9-16,19H,2-4,7-8H2,1H3;1-5H;;;;;/b16-15+;;;;;;