(3Z)-3-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: (3Z)-3-[(5-azanyl-1-oxidanyl-1-oxidanylidene-5-sulfanylidene-pentan-2-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: (3Z)-3-[(4-amino-1-carboxy-4-thioxo-butyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: (3Z)-3-[(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: (3Z)-3-[(5-amino-1-hydroxy-1-oxo-5-sulfanylidenepentan-2-yl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: (3Z)-3-[(4-amino-1-carboxy-4-thioxo-butyl)hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=NNC(CCC(=S)N)C(=O)O)C(=O)O

Isomeric SMILES

C\1=CC(=O)C(=C/C1=N\NC(CCC(=S)N)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c13-10(21)4-2-8(12(19)20)15-14-6-1-3-9(16)7(5-6)11(17)18/h1,3,5,8,15H,2,4H2,(H2,13,21)(H,17,18)(H,19,20)/b14-6-