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

Systemtic Name: 2-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-azaniumyl]propoxy]benzoate Openeye Name: 2-[3-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-ammonio]propoxy]benzoate CAS Name: 2-[3-[[(3S)-1,1-dioxo-3-thiolanyl]-methylammonio]propoxy]benzoate IUPAC Name: 2-[3-[[(3S)-1,1-dioxothiolan-3-yl]-methylazaniumyl]propoxy]benzoate Traditional Name: 2-[3-[[(3S)-1,1-diketothiolan-3-yl]-methyl-ammonio]propoxy]benzoate Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

C[NH+](CCCOC1=CC=CC=C1C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C15H21NO5S/c1-16(12-7-10-22(19,20)11-12)8-4-9-21-14-6-3-2-5-13(14)15(17)18/h2-3,5-6,12H,4,7-11H2,1H3,(H,17,18)/t12-/m0/s1