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

Systemtic Name: cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-thiophen-3-yl-cyclohex-2-en-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-(3-thienyl)cyclohex-2-en-1-one CAS Name: cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-(3-thiophenyl)-1-cyclohex-2-enone; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-thiophen-3-ylcyclohex-2-en-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-2,6-diphenyl-5-(3-thienyl)cyclohex-2-en-1-one Formula: C32H26FeOS+2 MolecularWeight: 514.45824

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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=CSC=C5.[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=CSC=C5.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C27H21OS.C5H5.Fe/c28-27-25(20-11-3-1-4-12-20)23(19-9-7-8-10-19)17-24(22-15-16-29-18-22)26(27)21-13-5-2-6-14-21;1-2-4-5-3-1;/h1-16,18,24,26H,17H2;1-5H;/q;;+2