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

Systemtic Name: 3-[3-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-azaniumyl]propoxy]benzoate Openeye Name: 3-[3-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-ammonio]propoxy]benzoate CAS Name: 3-[3-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylammonio]propoxy]benzoate IUPAC Name: 3-[3-[[(3S)-1,1-dioxothiolan-3-yl]-ethylazaniumyl]propoxy]benzoate Traditional Name: 3-[3-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-ammonio]propoxy]benzoate Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])C2CCS(=O)(=O)C2

Isomeric SMILES

CC[NH+](CCCOC1=CC=CC(=C1)C(=O)[O-])[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C16H23NO5S/c1-2-17(14-7-10-23(20,21)12-14)8-4-9-22-15-6-3-5-13(11-15)16(18)19/h3,5-6,11,14H,2,4,7-10,12H2,1H3,(H,18,19)/t14-/m0/s1