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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=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

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