cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidanidylphenyl)methyl]phenolate; iron(2+)

Systemtic Name: cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidanidylphenyl)methyl]phenolate; iron(2+) Openeye Name: ferrous; cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidophenyl)methyl]phenolate CAS Name: cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidophenyl)methyl]phenolate; iron(2+) IUPAC Name: cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidophenyl)methyl]phenolate; iron(2+) Traditional Name: ferrous; cyclopentane; 4-[2,3-dihydropentalen-1-ylidene-(4-oxidophenyl)methyl]phenolate Formula: C26H20FeO2 MolecularWeight: 420.2808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)[O-])[C]4[C]1[CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1CC(=C(C2=CC=C(C=C2)[O-])C3=CC=C(C=C3)[O-])[C]4[C]1[CH][CH][CH]4.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H17O2.C5H5.Fe/c22-17-9-4-15(5-10-17)21(16-6-11-18(23)12-7-16)20-13-8-14-2-1-3-19(14)20;1-2-4-5-3-1;/h1-7,9-12,22-23H,8,13H2;1-5H;/q;;+2/p-2