cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenyl-pentan-2-one; iron(2+)

Systemtic Name: cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenyl-pentan-2-one; iron(2+) Openeye Name: diferrous; cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenyl-pentan-2-one CAS Name: cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenyl-2-pentanone; iron(2+) IUPAC Name: cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenylpentan-2-one; iron(2+) Traditional Name: diferrous; cyclopentane; 3,4-di(cyclopentyl)-1,5-diphenyl-pentan-2-one Formula: C37H34Fe2O+4 MolecularWeight: 606.35526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC([C]2[CH][CH][CH][CH]2)C([C]3[CH][CH][CH][CH]3)C(=O)CC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)CC([C]2[CH][CH][CH][CH]2)C([C]3[CH][CH][CH][CH]3)C(=O)CC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2]

InChI

InChI=1S/C27H24O.2C5H5.2Fe/c28-26(20-22-13-5-2-6-14-22)27(24-17-9-10-18-24)25(23-15-7-8-16-23)19-21-11-3-1-4-12-21;2*1-2-4-5-3-1;;/h1-18,25,27H,19-20H2;2*1-5H;;/q;;;2*+2