cyclopentane; (4-cyclopentylphenyl) 4-dodecoxybenzoate; iron(2+)

Systemtic Name: cyclopentane; (4-cyclopentylphenyl) 4-dodecoxybenzoate; iron(2+) Openeye Name: ferrous; cyclopentane; (4-cyclopentylphenyl) 4-dodecoxybenzoate CAS Name: cyclopentane; 4-dodecoxybenzoic acid (4-cyclopentylphenyl) ester; iron(2+) IUPAC Name: cyclopentane; (4-cyclopentylphenyl) 4-dodecoxybenzoate; iron(2+) Traditional Name: ferrous; cyclopentane; 4-lauryloxybenzoic acid (4-cyclopentylphenyl) ester Formula: C35H42FeO3+2 MolecularWeight: 566.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C30H37O3.C5H5.Fe/c1-2-3-4-5-6-7-8-9-10-13-24-32-28-20-18-27(19-21-28)30(31)33-29-22-16-26(17-23-29)25-14-11-12-15-25;1-2-4-5-3-1;/h11-12,14-23H,2-10,13,24H2,1H3;1-5H;/q;;+2