7-methanethioyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid

Systemtic Name: 7-methanethioyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid Openeye Name: 7-methanethioyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid CAS Name: 7-methanethioyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid IUPAC Name: 7-methanethioyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid Traditional Name: 8-keto-7-thioformyl-5-thia-1-azoniabicyclo[4.2.0]oct-1(6)-ene-2-carboxylic acid Formula: C8H8NO3S2+ MolecularWeight: 230.28402

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=[N+](C1C(=O)O)C(=O)C2C=S

Isomeric SMILES

C1CSC2=[N+](C1C(=O)O)C(=O)C2C=S

InChI

InChI=1S/C8H7NO3S2/c10-6-4(3-13)7-9(6)5(8(11)12)1-2-14-7/h3-5H,1-2H2/p+1