4-(3-ethyl-2-methyl-1,3-thiazol-3-ium-4-yl)benzenesulfonic acid

Systemtic Name: 4-(3-ethyl-2-methyl-1,3-thiazol-3-ium-4-yl)benzenesulfonic acid Openeye Name: 4-(3-ethyl-2-methyl-thiazol-3-ium-4-yl)benzenesulfonic acid CAS Name: 4-(3-ethyl-2-methyl-4-thiazol-3-iumyl)benzenesulfonic acid IUPAC Name: 4-(3-ethyl-2-methyl-1,3-thiazol-3-ium-4-yl)benzenesulfonic acid Traditional Name: 4-(3-ethyl-2-methyl-thiazol-3-ium-4-yl)besylic acid Formula: C12H14NO3S2+ MolecularWeight: 284.37446

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C12H13NO3S2/c1-3-13-9(2)17-8-12(13)10-4-6-11(7-5-10)18(14,15)16/h4-8H,3H2,1-2H3/p+1