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

Systemtic Name: (phenylmethyl) 3-(3-methylphenyl)sulfonyloxy-7-oxidanylidene-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylate Openeye Name: benzyl 3-(m-tolylsulfonyloxy)-7-oxo-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylate CAS Name: 3-(3-methylphenyl)sulfonyloxy-7-oxo-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-methylphenyl)sulfonyloxy-7-oxo-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylate Traditional Name: 7-keto-3-(m-tolylsulfonyloxy)-1-azoniabicyclo[3.2.0]hept-1-ene-2-carboxylic acid benzyl ester Formula: C21H20NO6S+ MolecularWeight: 414.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2CC3CC(=O)[N+]3=C2C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2CC3CC(=O)[N+]3=C2C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20NO6S/c1-14-6-5-9-17(10-14)29(25,26)28-18-11-16-12-19(23)22(16)20(18)21(24)27-13-15-7-3-2-4-8-15/h2-10,16,18H,11-13H2,1H3/q+1