cyclopentane; [3-fluoranyl-4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 4-cyclopentylbenzoate; iron(2+)

Systemtic Name: cyclopentane; [3-fluoranyl-4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 4-cyclopentylbenzoate; iron(2+) Openeye Name: ferrous; cyclopentane; [3-fluoro-4-(3-fluoro-4-octoxy-phenyl)phenyl] 4-cyclopentylbenzoate CAS Name: cyclopentane; 4-cyclopentylbenzoic acid [3-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; [3-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] 4-cyclopentylbenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 4-cyclopentylbenzoic acid [3-fluoro-4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C37H36F2FeO3+2 MolecularWeight: 622.521746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)[C]4[CH][CH][CH][CH]4)F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)[C]4[CH][CH][CH][CH]4)F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C32H31F2O3.C5H5.Fe/c1-2-3-4-5-6-9-20-36-31-19-16-26(21-30(31)34)28-18-17-27(22-29(28)33)37-32(35)25-14-12-24(13-15-25)23-10-7-8-11-23;1-2-4-5-3-1;/h7-8,10-19,21-22H,2-6,9,20H2,1H3;1-5H;/q;;+2