2-(2-azaniumylethyl)-4,5-dimethoxy-benzenesulfonate

Systemtic Name: 2-(2-azaniumylethyl)-4,5-dimethoxy-benzenesulfonate Openeye Name: 2-(2-azaniumylethyl)-4,5-dimethoxy-benzenesulfonate CAS Name: 2-(2-ammonioethyl)-4,5-dimethoxybenzenesulfonate IUPAC Name: 2-(2-azaniumylethyl)-4,5-dimethoxybenzenesulfonate Traditional Name: 2-(2-ammonioethyl)-4,5-dimethoxy-besylate Formula: C10H15NO5S MolecularWeight: 261.2948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC[NH3+])S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC[NH3+])S(=O)(=O)[O-])OC

InChI

InChI=1S/C10H15NO5S/c1-15-8-5-7(3-4-11)10(17(12,13)14)6-9(8)16-2/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)