4-(2,2-dimethoxyethylamino)benzenesulfonic acid

Systemtic Name: 4-(2,2-dimethoxyethylamino)benzenesulfonic acid Openeye Name: 4-(2,2-dimethoxyethylamino)benzenesulfonic acid CAS Name: 4-(2,2-dimethoxyethylamino)benzenesulfonic acid IUPAC Name: 4-(2,2-dimethoxyethylamino)benzenesulfonic acid Traditional Name: 4-(2,2-dimethoxyethylamino)besylic acid Formula: C10H15NO5S MolecularWeight: 261.2948

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC1=CC=C(C=C1)S(=O)(=O)O)OC

Isomeric SMILES

COC(CNC1=CC=C(C=C1)S(=O)(=O)O)OC

InChI

InChI=1S/C10H15NO5S/c1-15-10(16-2)7-11-8-3-5-9(6-4-8)17(12,13)14/h3-6,10-11H,7H2,1-2H3,(H,12,13,14)