2-(1,3-benzodithiol-2-ylidene)-2-cyclopenta-2,4-dien-1-yl-ethanal; iron

Systemtic Name: 2-(1,3-benzodithiol-2-ylidene)-2-cyclopenta-2,4-dien-1-yl-ethanal; iron Openeye Name: 2-(1,3-benzodithiol-2-ylidene)-2-cyclopenta-2,4-dien-1-yl-acetaldehyde; iron CAS Name: 2-(1,3-benzodithiol-2-ylidene)-2-(1-cyclopenta-2,4-dienyl)acetaldehyde; iron IUPAC Name: 2-(1,3-benzodithiol-2-ylidene)-2-cyclopenta-2,4-dien-1-ylacetaldehyde; iron Traditional Name: 2-(1,3-benzodithiol-2-ylidene)-2-cyclopenta-2,4-dien-1-yl-acetaldehyde; iron Formula: C28H18FeO2S4-2 MolecularWeight: 570.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=C(C=O)[C-]3C=CC=C3)S2.C1=CC=C2C(=C1)SC(=C(C=O)[C-]3C=CC=C3)S2.[Fe]

Isomeric SMILES

C1=CC=C2C(=C1)SC(=C(C=O)[C-]3C=CC=C3)S2.C1=CC=C2C(=C1)SC(=C(C=O)[C-]3C=CC=C3)S2.[Fe]

InChI

InChI=1S/2C14H9OS2.Fe/c2*15-9-11(10-5-1-2-6-10)14-16-12-7-3-4-8-13(12)17-14;/h2*1-9H;/q2*-1;