4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid

Systemtic Name: 4-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonylbenzoic acid Openeye Name: 4-[2-(dimethylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-[2-(dimethylamino)-2-keto-ethyl]sulfonylbenzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)C(=O)CS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H13NO5S/c1-12(2)10(13)7-18(16,17)9-5-3-8(4-6-9)11(14)15/h3-6H,7H2,1-2H3,(H,14,15)