sodium 3-(3-methylphenyl)sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium 3-(3-methylphenyl)sulfonyloxy-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium 3-(m-tolylsulfonyloxy)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium 3-(3-methylphenyl)sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium 3-(3-methylphenyl)sulfonyloxy-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium 7-keto-3-(m-tolylsulfonyloxy)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H12NNaO6S MolecularWeight: 345.30295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=C(N3C(C2)CC3=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H13NO6S.Na/c1-8-3-2-4-10(5-8)22(19,20)21-11-6-9-7-12(16)15(9)13(11)14(17)18;/h2-5,9H,6-7H2,1H3,(H,17,18);/q;+1/p-1