cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenyl-hexane-1,5-dione; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenyl-hexane-1,5-dione; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenyl-hexane-1,5-dione CAS Name: cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenylhexane-1,5-dione; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenylhexane-1,5-dione; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-3-(4-methoxyphenyl)-4,6-diphenyl-hexane-1,5-dione Formula: C35H32FeO3+2 MolecularWeight: 556.47178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[C]2[CH][CH][CH][CH]2)C(C3=CC=CC=C3)C(=O)CC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)[C]2[CH][CH][CH][CH]2)C(C3=CC=CC=C3)C(=O)CC4=CC=CC=C4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C30H27O3.C5H5.Fe/c1-33-26-18-16-23(17-19-26)27(21-28(31)24-12-8-9-13-24)30(25-14-6-3-7-15-25)29(32)20-22-10-4-2-5-11-22;1-2-4-5-3-1;/h2-19,27,30H,20-21H2,1H3;1-5H;/q;;+2