1-phenethylthiolan-1-ium-2-sulfonate

Systemtic Name: 1-phenethylthiolan-1-ium-2-sulfonate Openeye Name: 1-phenethyltetrahydrothiophen-1-ium-2-sulfonate CAS Name: 1-phenethyl-2-thiolan-1-iumsulfonate IUPAC Name: 1-phenethylthiolan-1-ium-2-sulfonate Traditional Name: 1-phenethyltetrahydrothiophen-1-ium-2-sulfonate Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([S+](C1)CCC2=CC=CC=C2)S(=O)(=O)[O-]

Isomeric SMILES

C1CC([S+](C1)CCC2=CC=CC=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16O3S2/c13-17(14,15)12-7-4-9-16(12)10-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2