3-(iodanylmethyl)-1-methanoyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(iodanylmethyl)-1-methanoyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 1-formyl-3-(iodomethyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 1-formyl-3-(iodomethyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 1-formyl-3-(iodomethyl)-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 1-formyl-3-(iodomethyl)-8-keto-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H9INO4S+ MolecularWeight: 354.14153

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Descriptors Computed from Structure

Canonical SMILES:

C1C2[N+](C1=O)(C(=C(CS2)CI)C(=O)O)C=O

Isomeric SMILES

C1C2[N+](C1=O)(C(=C(CS2)CI)C(=O)O)C=O

InChI

InChI=1S/C9H8INO4S/c10-2-5-3-16-7-1-6(13)11(7,4-12)8(5)9(14)15/h4,7H,1-3H2/p+1