1-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 1-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxidanylidene-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 1-(1-hydroxyethyl)-8-oxo-3-(p-tolylsulfonyloxy)-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 1-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 1-(1-hydroxyethyl)-3-(4-methylphenyl)sulfonyloxy-8-oxo-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 1-(1-hydroxyethyl)-8-keto-3-tosyloxy-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H20NO7S+ MolecularWeight: 382.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C([N+]3(C(CC2)CC3=O)C(C)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C([N+]3(C(CC2)CC3=O)C(C)O)C(=O)O

InChI

InChI=1S/C17H19NO7S/c1-10-3-6-13(7-4-10)26(23,24)25-14-8-5-12-9-15(20)18(12,11(2)19)16(14)17(21)22/h3-4,6-7,11-12,19H,5,8-9H2,1-2H3/p+1