iron; (2E,4R)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: iron; (2E,4R)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid Openeye Name: iron; (2E,4R)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)thiazolidine-4-carboxylic acid CAS Name: iron; (2E,4R)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-thiazolidinecarboxylic acid IUPAC Name: iron; (2E,4R)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3-thiazolidine-4-carboxylic acid Traditional Name: iron; (2E,4R)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)thiazolidine-4-carboxylic acid Formula: C20H18FeN2O6S2 MolecularWeight: 502.34172

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=C2C=CC=CC2=O)S1)C(=O)O.C1C(NC(=C2C=CC=CC2=O)S1)C(=O)O.[Fe]

Isomeric SMILES

C1S/C(=C\2/C(=O)C=CC=C2)/N[C@@H]1C(=O)O.C1S/C(=C\2/C(=O)C=CC=C2)/N[C@@H]1C(=O)O.[Fe]

InChI

InChI=1S/2C10H9NO3S.Fe/c2*12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14;/h2*1-4,7,11H,5H2,(H,13,14);/b2*9-6+;/t2*7-;/m00./s1