cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxy-benzene; iron(2+)

Systemtic Name: cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxy-benzene; iron(2+) Openeye Name: ferrous; cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxy-benzene CAS Name: cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxybenzene; iron(2+) IUPAC Name: cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxybenzene; iron(2+) Traditional Name: ferrous; cyclopentane; 1-(2-cyclopentylethynyl)-4-ethynyl-2,5-dipropoxy-benzene Formula: C26H26FeO2+2 MolecularWeight: 426.32844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C#C)OCCC)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCCOC1=CC(=C(C=C1C#C)OCCC)C#C[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C21H21O2.C5H5.Fe/c1-4-13-22-20-16-19(12-11-17-9-7-8-10-17)21(23-14-5-2)15-18(20)6-3;1-2-4-5-3-1;/h3,7-10,15-16H,4-5,13-14H2,1-2H3;1-5H;/q;;+2