(3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane; iron(2+)

Systemtic Name: (3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane; iron(2+) Openeye Name: ferrous; (3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane CAS Name: (3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane; iron(2+) IUPAC Name: (3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane; iron(2+) Traditional Name: ferrous; (3aS,6S)-6-cyclopentyl-2-(1,3-dithiol-2-ylidene)-3a,6-dihydro-1,3-benzodithiole-4,4,5,5-tetracarbonitrile; cyclopentane Formula: C24H14FeN4S4+2 MolecularWeight: 542.49976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C2SC3C(=CC(C(C3(C#N)C#N)(C#N)C#N)[C]4[CH][CH][CH][CH]4)S2)S1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C1=CSC(=C2S[C@@H]3C(=C[C@@H](C(C3(C#N)C#N)(C#N)C#N)[C]4[CH][CH][CH][CH]4)S2)S1.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H9N4S4.C5H5.Fe/c20-8-18(9-21)13(12-3-1-2-4-12)7-14-15(19(18,10-22)11-23)27-17(26-14)16-24-5-6-25-16;1-2-4-5-3-1;/h1-7,13,15H;1-5H;/q;;+2/t13-,15-;;/m1../s1