methyl 2-(2-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanoate

Systemtic Name: methyl 2-(2-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfinyl-ethanoate Openeye Name: methyl 2-(o-tolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetate CAS Name: 2-(2-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)sulfinyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinylacetate Traditional Name: 2-(o-tolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinyl-acetic acid methyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)OC)S(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C(=O)OC)S(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H15NO4S/c1-11-7-3-4-8-12(11)14(15(17)20-2)21(19)13-9-5-6-10-16(13)18/h3-10,14H,1-2H3