5-phosphonocarbonyl-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 5-phosphonocarbonyl-6-sulfanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 5-phosphonocarbonyl-6-thioxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 5-[oxo(phosphono)methyl]-6-sulfanylidene-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 5-phosphonocarbonyl-6-sulfanylidenecyclohexa-2,4-diene-1-carboxylate Traditional Name: 5-phosphonocarbonyl-6-thioxo-cyclohexa-2,4-diene-1-carboxylate Formula: C8H6O6PS- MolecularWeight: 261.168401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(=S)C(=C1)C(=O)P(=O)(O)O)C(=O)[O-]

Isomeric SMILES

C1=CC(C(=S)C(=C1)C(=O)P(=O)(O)O)C(=O)[O-]

InChI

InChI=1S/C8H7O6PS/c9-7(10)4-2-1-3-5(6(4)16)8(11)15(12,13)14/h1-4H,(H,9,10)(H2,12,13,14)/p-1