cyclopentane; 3-cyclopentyl-5-(4-methylphenyl)-2,6-diphenyl-cyclohex-2-en-1-one; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-5-(4-methylphenyl)-2,6-diphenyl-cyclohex-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-(p-tolyl)cyclohex-2-en-1-one CAS Name: cyclopentane; 3-cyclopentyl-5-(4-methylphenyl)-2,6-diphenyl-1-cyclohex-2-enone; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-5-(4-methylphenyl)-2,6-diphenylcyclohex-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-(p-tolyl)cyclohex-2-en-1-one Formula: C35H30FeO+2 MolecularWeight: 522.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=C(C(=O)C2C3=CC=CC=C3)C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=C(C(=O)C2C3=CC=CC=C3)C4=CC=CC=C4)[C]5[CH][CH][CH][CH]5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C30H25O.C5H5.Fe/c1-21-16-18-23(19-17-21)27-20-26(22-10-8-9-11-22)28(24-12-4-2-5-13-24)30(31)29(27)25-14-6-3-7-15-25;1-2-4-5-3-1;/h2-19,27,29H,20H2,1H3;1-5H;/q;;+2