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

Systemtic Name: cyclopentane; 4-[2-cyclopentyl-1-(4-oxidanidylphenyl)but-1-enyl]phenolate; iron(2+) Openeye Name: ferrous; cyclopentane; 4-[2-cyclopentyl-1-(4-oxidophenyl)but-1-enyl]phenolate CAS Name: cyclopentane; 4-[2-cyclopentyl-1-(4-oxidophenyl)but-1-enyl]phenolate; iron(2+) IUPAC Name: cyclopentane; 4-[2-cyclopentyl-1-(4-oxidophenyl)but-1-enyl]phenolate; iron(2+) Traditional Name: ferrous; cyclopentane; 4-[2-cyclopentyl-1-(4-oxidophenyl)but-1-enyl]phenolate Formula: C26H22FeO2 MolecularWeight: 422.29668

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19O2.C5H5.Fe/c1-2-20(15-5-3-4-6-15)21(16-7-11-18(22)12-8-16)17-9-13-19(23)14-10-17;1-2-4-5-3-1;/h3-14,22-23H,2H2,1H3;1-5H;/q;;+2/p-2