3-chloranyl-1-methoxycarbonyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-chloranyl-1-methoxycarbonyl-8-oxidanylidene-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-1-methoxycarbonyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-1-methoxycarbonyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-1-methoxycarbonyl-8-oxo-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 1-carbomethoxy-3-chloro-8-keto-5-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C9H9ClNO5S+ MolecularWeight: 278.68946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]12C(CC1=O)SCC(=C2C(=O)O)Cl

Isomeric SMILES

COC(=O)[N+]12C(CC1=O)SCC(=C2C(=O)O)Cl

InChI

InChI=1S/C9H8ClNO5S/c1-16-9(15)11-5(12)2-6(11)17-3-4(10)7(11)8(13)14/h6H,2-3H2,1H3/p+1