iron(3+); (4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate

Systemtic Name: iron(3+); (4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate Openeye Name: ferric (4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanyl-methanethiolate CAS Name: iron(3+); mercapto-(4-oxo-1-cyclohexa-2,5-dienylidene)methanethiolate IUPAC Name: iron(3+); (4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethanethiolate Traditional Name: ferric (4-ketocyclohexa-2,5-dien-1-ylidene)-mercapto-methanethiolate Formula: C21H15FeO3S6 MolecularWeight: 563.577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].[Fe+3]

Isomeric SMILES

C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].C1=CC(=O)C=CC1=C(S)[S-].[Fe+3]

InChI

InChI=1S/3C7H6OS2.Fe/c3*8-6-3-1-5(2-4-6)7(9)10;/h3*1-4,9-10H;/q;;;+3/p-3