2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]benzoate

Systemtic Name: 2-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methyl]benzoate Openeye Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]methyl]benzoate CAS Name: 2-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]methyl]benzoate IUPAC Name: 2-[[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]methyl]benzoate Traditional Name: 2-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]methyl]benzoate Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

C[NH+](CC1=CC=CC=C1C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17NO4S/c1-14(11-6-7-19(17,18)9-11)8-10-4-2-3-5-12(10)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)/t11-/m0/s1