2,6-ditert-butylpyridin-1-ium-3-sulfonate

Systemtic Name: 2,6-ditert-butylpyridin-1-ium-3-sulfonate Openeye Name: 2,6-ditert-butylpyridin-1-ium-3-sulfonate CAS Name: 2,6-ditert-butyl-3-pyridin-1-iumsulfonate IUPAC Name: 2,6-ditert-butylpyridin-1-ium-3-sulfonate Traditional Name: 2,6-ditert-butylpyridin-1-ium-3-sulfonate Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[NH+]C(=C(C=C1)S(=O)(=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=[NH+]C(=C(C=C1)S(=O)(=O)[O-])C(C)(C)C

InChI

InChI=1S/C13H21NO3S/c1-12(2,3)10-8-7-9(18(15,16)17)11(14-10)13(4,5)6/h7-8H,1-6H3,(H,15,16,17)