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

Systemtic Name: cyclopentane; (4-decoxyphenyl) 3-cyclopentylbenzoate; iron(2+) Openeye Name: ferrous; cyclopentane; (4-decoxyphenyl) 3-cyclopentylbenzoate CAS Name: cyclopentane; 3-cyclopentylbenzoic acid (4-decoxyphenyl) ester; iron(2+) IUPAC Name: cyclopentane; (4-decoxyphenyl) 3-cyclopentylbenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentylbenzoic acid (4-decoxyphenyl) ester Formula: C33H38FeO3+2 MolecularWeight: 538.49802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C28H33O3.C5H5.Fe/c1-2-3-4-5-6-7-8-11-21-30-26-17-19-27(20-18-26)31-28(29)25-16-12-15-24(22-25)23-13-9-10-14-23;1-2-4-5-3-1;/h9-10,12-20,22H,2-8,11,21H2,1H3;1-5H;/q;;+2