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

Systemtic Name: cyclopentane; [4-(3-fluoranyl-4-octoxy-phenyl)phenyl] 3-cyclopentylbenzoate; iron(2+) Openeye Name: ferrous; cyclopentane; [4-(3-fluoro-4-octoxy-phenyl)phenyl] 3-cyclopentylbenzoate CAS Name: cyclopentane; 3-cyclopentylbenzoic acid [4-(3-fluoro-4-octoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; [4-(3-fluoro-4-octoxyphenyl)phenyl] 3-cyclopentylbenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentylbenzoic acid [4-(3-fluoro-4-octoxy-phenyl)phenyl] ester Formula: C37H37FFeO3+2 MolecularWeight: 604.531283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32FO3.C5H5.Fe/c1-2-3-4-5-6-9-21-35-31-20-17-27(23-30(31)33)25-15-18-29(19-16-25)36-32(34)28-14-10-13-26(22-28)24-11-7-8-12-24;1-2-4-5-3-1;/h7-8,10-20,22-23H,2-6,9,21H2,1H3;1-5H;/q;;+2