cyclopenta-1,3-diene; (1-cyclopenta-2,4-dien-1-yl-1-methoxy-pent-4-en-2-ynyl)benzene; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; (1-cyclopenta-2,4-dien-1-yl-1-methoxy-pent-4-en-2-ynyl)benzene; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; (1-cyclopenta-2,4-dien-1-yl-1-methoxy-pent-4-en-2-ynyl)benzene CAS Name: cyclopenta-1,3-diene; [1-(1-cyclopenta-2,4-dienyl)-1-methoxypent-4-en-2-ynyl]benzene; iron(2+) IUPAC Name: cyclopenta-1,3-diene; (1-cyclopenta-2,4-dien-1-yl-1-methoxypent-4-en-2-ynyl)benzene; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; (1-cyclopenta-2,4-dien-1-yl-1-methoxy-pent-4-en-2-ynyl)benzene Formula: C22H20FeO MolecularWeight: 356.2386

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Descriptors Computed from Structure

Canonical SMILES:

COC(C#CC=C)(C1C=C[C-]=C1)C2=CC=CC=C2.C1C=CC=[C-]1.[Fe+2]

Isomeric SMILES

COC(C#CC=C)(C1C=C[C-]=C1)C2=CC=CC=C2.C1C=CC=[C-]1.[Fe+2]

InChI

InChI=1S/C17H15O.C5H5.Fe/c1-3-4-14-17(18-2,16-12-8-9-13-16)15-10-6-5-7-11-15;1-2-4-5-3-1;/h3,5-8,10-13,16H,1H2,2H3;1-3H,4H2;/q2*-1;+2