(2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid; carbon monoxide; iron

Systemtic Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid; carbon monoxide; iron Openeye Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanyl-propanoic acid; carbon monoxide; iron CAS Name: (2R)-2-acetamido-3-(1-cyclohexa-2,4-dienylthio)propanoic acid; carbon monoxide; iron IUPAC Name: (2R)-2-acetamido-3-cyclohexa-2,4-dien-1-ylsulfanylpropanoic acid; carbon monoxide; iron Traditional Name: (2R)-2-acetamido-3-(cyclohexa-2,4-dien-1-ylthio)propionic acid; carbon monoxide; iron Formula: C14H15FeNO6S MolecularWeight: 381.182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC=CC=C1)C(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=O)N[C@@H](CSC1CC=CC=C1)C(=O)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C11H15NO3S.3CO.Fe/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9;3*1-2;/h2-5,9-10H,6-7H2,1H3,(H,12,13)(H,14,15);;;;/t9?,10-;;;;/m0..../s1