3-(2,5-dimethylphenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-propanoic acid

Systemtic Name: 3-(2,5-dimethylphenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-propanoic acid Openeye Name: 3-(2,5-dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfonyl-propanoic acid CAS Name: 3-(2,5-dimethylphenyl)-3-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]propanoic acid IUPAC Name: 3-(2,5-dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfonylpropanoic acid Traditional Name: 3-(2,5-dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfonyl-propionic acid Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC(=O)O)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CC(=O)O)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H17NO5S/c1-11-6-7-12(2)13(9-11)14(10-16(18)19)23(21,22)15-5-3-4-8-17(15)20/h3-9,14H,10H2,1-2H3,(H,18,19)