cyclopentane; iron(2+); 4-[1-(4-oxidanidylphenyl)but-1-enyl]phenolate

Systemtic Name: cyclopentane; iron(2+); 4-[1-(4-oxidanidylphenyl)but-1-enyl]phenolate Openeye Name: ferrous; cyclopentane; 4-[1-(4-oxidophenyl)but-1-enyl]phenolate CAS Name: cyclopentane; iron(2+); 4-[1-(4-oxidophenyl)but-1-enyl]phenolate IUPAC Name: cyclopentane; iron(2+); 4-[1-(4-oxidophenyl)but-1-enyl]phenolate Traditional Name: ferrous; cyclopentane; 4-[1-(4-oxidophenyl)but-1-enyl]phenolate Formula: C26H24FeO2 MolecularWeight: 424.31256

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCC=C(C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H16O2.2C5H5.Fe/c1-2-3-16(12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13;2*1-2-4-5-3-1;/h3-11,17-18H,2H2,1H3;2*1-5H;/q;;;+2/p-2