4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]methyl]benzoate

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]methyl]benzoate Openeye Name: 4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]benzoate CAS Name: 4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]benzoate IUPAC Name: 4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]benzoate Traditional Name: 4-[(1,1-diketo-1,4-thiazinan-4-ium-4-yl)methyl]benzoate Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC[NH+]1CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CC[NH+]1CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H15NO4S/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-18(16,17)8-6-13/h1-4H,5-9H2,(H,14,15)