3-(2-cyclohexyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid

Systemtic Name: 3-(2-cyclohexyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid Openeye Name: 3-(2-cyclohexylisoxazol-2-ium-5-yl)benzenesulfonic acid CAS Name: 3-(2-cyclohexyl-5-isoxazol-2-iumyl)benzenesulfonic acid IUPAC Name: 3-(2-cyclohexyl-1,2-oxazol-2-ium-5-yl)benzenesulfonic acid Traditional Name: 3-(2-cyclohexylisoxazol-2-ium-5-yl)besylic acid Formula: C15H18NO4S+ MolecularWeight: 308.37272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=CC=C(O2)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1CCC(CC1)[N+]2=CC=C(O2)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C15H17NO4S/c17-21(18,19)14-8-4-5-12(11-14)15-9-10-16(20-15)13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7H2/p+1