benzenesulfonate; trimethyl-[4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium

Systemtic Name: benzenesulfonate; trimethyl-[4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]azanium Openeye Name: benzenesulfonate; (4-hydroxy-1,1-dioxo-thiolan-3-yl)-trimethyl-ammonium CAS Name: benzenesulfonate; (4-hydroxy-1,1-dioxo-3-thiolanyl)-trimethylammonium IUPAC Name: benzenesulfonate; (4-hydroxy-1,1-dioxothiolan-3-yl)-trimethylazanium Traditional Name: (4-hydroxy-1,1-diketo-thiolan-3-yl)-trimethyl-ammonium besylate Formula: C13H21NO6S2 MolecularWeight: 351.43894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1CS(=O)(=O)CC1O.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1CS(=O)(=O)CC1O.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H16NO3S.C6H6O3S/c1-8(2,3)6-4-12(10,11)5-7(6)9;7-10(8,9)6-4-2-1-3-5-6/h6-7,9H,4-5H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1