cyclopentane; iron(2+); 1-phenylbut-2-yne-1,4-diolate

Systemtic Name: cyclopentane; iron(2+); 1-phenylbut-2-yne-1,4-diolate Openeye Name: ferrous; cyclopentane; 1-phenylbut-2-yne-1,4-diolate CAS Name: cyclopentane; iron(2+); 1-phenyl-2-butyne-1,4-diolate IUPAC Name: cyclopentane; iron(2+); 1-phenylbut-2-yne-1,4-diolate Traditional Name: ferrous; cyclopentane; 1-phenylbut-2-yne-1,4-diolate Formula: C20H18FeO2 MolecularWeight: 346.20072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8O2.2C5H5.Fe/c11-8-4-7-10(12)9-5-2-1-3-6-9;2*1-2-4-5-3-1;/h1-3,5-6,10H,8H2;2*1-5H;/q-2;;;+2