cyclopentane; iron(2+); [4-(4-octoxyphenyl)phenyl] 4-cyclopentylbenzoate

Systemtic Name: cyclopentane; iron(2+); [4-(4-octoxyphenyl)phenyl] 4-cyclopentylbenzoate Openeye Name: ferrous; cyclopentane; [4-(4-octoxyphenyl)phenyl] 4-cyclopentylbenzoate CAS Name: cyclopentane; 4-cyclopentylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); [4-(4-octoxyphenyl)phenyl] 4-cyclopentylbenzoate Traditional Name: ferrous; cyclopentane; 4-cyclopentylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C37H38FeO3+2 MolecularWeight: 586.54082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H33O3.C5H5.Fe/c1-2-3-4-5-6-9-24-34-30-20-16-27(17-21-30)28-18-22-31(23-19-28)35-32(33)29-14-12-26(13-15-29)25-10-7-8-11-25;1-2-4-5-3-1;/h7-8,10-23H,2-6,9,24H2,1H3;1-5H;/q;;+2