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

Systemtic Name: 5-(4-chlorophenyl)-3-cyclopentyl-2,6-diphenyl-cyclohex-2-en-1-one; cyclopentane; iron(2+) Openeye Name: ferrous; 5-(4-chlorophenyl)-3-cyclopentyl-2,6-diphenyl-cyclohex-2-en-1-one; cyclopentane CAS Name: 5-(4-chlorophenyl)-3-cyclopentyl-2,6-diphenyl-1-cyclohex-2-enone; cyclopentane; iron(2+) IUPAC Name: 5-(4-chlorophenyl)-3-cyclopentyl-2,6-diphenylcyclohex-2-en-1-one; cyclopentane; iron(2+) Traditional Name: ferrous; 5-(4-chlorophenyl)-3-cyclopentyl-2,6-diphenyl-cyclohex-2-en-1-one; cyclopentane Formula: C34H27ClFeO+2 MolecularWeight: 542.87558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)C(=C1[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1C(C(C(=O)C(=C1[C]2[CH][CH][CH][CH]2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C29H22ClO.C5H5.Fe/c30-24-17-15-21(16-18-24)26-19-25(20-9-7-8-10-20)27(22-11-3-1-4-12-22)29(31)28(26)23-13-5-2-6-14-23;1-2-4-5-3-1;/h1-18,26,28H,19H2;1-5H;/q;;+2