cyclopentyl-[2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]methanone; iron(2+)

Systemtic Name: cyclopentyl-[2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]methanone; iron(2+) Openeye Name: ferrous cyclopentyl-[2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]methanone CAS Name: cyclopentyl-[2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanone; iron(2+) IUPAC Name: cyclopentyl-[2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanone; iron(2+) Traditional Name: ferrous cyclopentyl-[2-(4-methoxyphenyl)-3-phenyl-cyclopropyl]methanone Formula: C44H38FeO4+2 MolecularWeight: 686.61512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C2C(=O)[C]3[CH][CH][CH][CH]3)C4=CC=CC=C4.COC1=CC=C(C=C1)C2C(C2C(=O)[C]3[CH][CH][CH][CH]3)C4=CC=CC=C4.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C2C(=O)[C]3[CH][CH][CH][CH]3)C4=CC=CC=C4.COC1=CC=C(C=C1)C2C(C2C(=O)[C]3[CH][CH][CH][CH]3)C4=CC=CC=C4.[Fe+2]

InChI

InChI=1S/2C22H19O2.Fe/c2*1-24-18-13-11-16(12-14-18)20-19(15-7-3-2-4-8-15)21(20)22(23)17-9-5-6-10-17;/h2*2-14,19-21H,1H3;/q;;+2