3-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Openeye Name: 3-(hydroxymethyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid CAS Name: 3-(hydroxymethyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid IUPAC Name: 3-(hydroxymethyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Traditional Name: 7-keto-3-methylol-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid Formula: C7H8NO4S+ MolecularWeight: 202.20772

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Descriptors Computed from Structure

Canonical SMILES:

C1C2[N+](C1=O)(C=C(S2)CO)C(=O)O

Isomeric SMILES

C1C2[N+](C1=O)(C=C(S2)CO)C(=O)O

InChI

InChI=1S/C7H7NO4S/c9-3-4-2-8(7(11)12)5(10)1-6(8)13-4/h2,6,9H,1,3H2/p+1