4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methoxy]benzoate

Systemtic Name: 4-[[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]methoxy]benzoate Openeye Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]methoxy]benzoate CAS Name: 4-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]methoxy]benzoate IUPAC Name: 4-[[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]methoxy]benzoate Traditional Name: 4-[[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]methoxy]benzoate Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](COC1=CC=C(C=C1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

C[NH+](COC1=CC=C(C=C1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17NO5S/c1-14(11-6-7-20(17,18)8-11)9-19-12-4-2-10(3-5-12)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)/t11-/m0/s1