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

Systemtic Name: cyclopentane; iron(2+); [4-(4-octoxyphenyl)phenyl] 3-cyclopentylbenzoate Openeye Name: ferrous; cyclopentane; [4-(4-octoxyphenyl)phenyl] 3-cyclopentylbenzoate CAS Name: cyclopentane; 3-cyclopentylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; iron(2+); [4-(4-octoxyphenyl)phenyl] 3-cyclopentylbenzoate Traditional Name: ferrous; cyclopentane; 3-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=CC(=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=CC(=C3)[C]4[CH][CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

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