cyclopentane; [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate; iron(2+)

Systemtic Name: cyclopentane; [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate; iron(2+) Openeye Name: ferrous; cyclopentane; [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] thiocyanate CAS Name: cyclopentane; iron(2+); thiocyanic acid [2-(4-cyclopentylphenyl)-3-thiocyanatopropyl] ester IUPAC Name: cyclopentane; [2-(4-cyclopentylphenyl)-3-thiocyanatopropyl] thiocyanate; iron(2+) Traditional Name: ferrous; cyclopentane; thiocyanic acid [2-(4-cyclopentylphenyl)-3-thiocyanato-propyl] ester Formula: C21H18FeN2S2+2 MolecularWeight: 418.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[C]2[CH][CH][CH][CH]2)C(CSC#N)CSC#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CC(=CC=C1[C]2[CH][CH][CH][CH]2)C(CSC#N)CSC#N.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H13N2S2.C5H5.Fe/c17-11-19-9-16(10-20-12-18)15-7-5-14(6-8-15)13-3-1-2-4-13;1-2-4-5-3-1;/h1-8,16H,9-10H2;1-5H;/q;;+2