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

Systemtic Name: cyclopentane; [4-(4-decoxyphenyl)phenyl] 3-cyclopentylbenzoate; iron(2+) Openeye Name: ferrous; cyclopentane; [4-(4-decoxyphenyl)phenyl] 3-cyclopentylbenzoate CAS Name: cyclopentane; 3-cyclopentylbenzoic acid [4-(4-decoxyphenyl)phenyl] ester; iron(2+) IUPAC Name: cyclopentane; [4-(4-decoxyphenyl)phenyl] 3-cyclopentylbenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentylbenzoic acid [4-(4-decoxyphenyl)phenyl] ester Formula: C39H42FeO3+2 MolecularWeight: 614.59398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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

CCCCCCCCCCOC1=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/C34H37O3.C5H5.Fe/c1-2-3-4-5-6-7-8-11-25-36-32-21-17-28(18-22-32)29-19-23-33(24-20-29)37-34(35)31-16-12-15-30(26-31)27-13-9-10-14-27;1-2-4-5-3-1;/h9-10,12-24,26H,2-8,11,25H2,1H3;1-5H;/q;;+2