2-[2-(1,3-benzodithiol-2-ylidene)-1-cyclopenta-2,4-dien-1-yl-ethylidene]-1,3-benzodithiole; iron

Systemtic Name: 2-[2-(1,3-benzodithiol-2-ylidene)-1-cyclopenta-2,4-dien-1-yl-ethylidene]-1,3-benzodithiole; iron Openeye Name: 2-[2-(1,3-benzodithiol-2-ylidene)-1-cyclopenta-2,4-dien-1-yl-ethylidene]-1,3-benzodithiole; iron CAS Name: 2-[2-(1,3-benzodithiol-2-ylidene)-1-(1-cyclopenta-2,4-dienyl)ethylidene]-1,3-benzodithiole; iron IUPAC Name: 2-[2-(1,3-benzodithiol-2-ylidene)-1-cyclopenta-2,4-dien-1-ylethylidene]-1,3-benzodithiole; iron Traditional Name: 2-[2-(1,3-benzodithiol-2-ylidene)-1-cyclopenta-2,4-dien-1-yl-ethylidene]-1,3-benzodithiole; iron Formula: C42H26FeS8-2 MolecularWeight: 843.02084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(=CC(=C3SC4=CC=CC=C4S3)[C-]5C=CC=C5)S2.C1=CC=C2C(=C1)SC(=CC(=C3SC4=CC=CC=C4S3)[C-]5C=CC=C5)S2.[Fe]

Isomeric SMILES

C1=CC=C2C(=C1)SC(=CC(=C3SC4=CC=CC=C4S3)[C-]5C=CC=C5)S2.C1=CC=C2C(=C1)SC(=CC(=C3SC4=CC=CC=C4S3)[C-]5C=CC=C5)S2.[Fe]

InChI

InChI=1S/2C21H13S4.Fe/c2*1-2-8-14(7-1)15(21-24-18-11-5-6-12-19(18)25-21)13-20-22-16-9-3-4-10-17(16)23-20;/h2*1-13H;/q2*-1;