2-(diethylamino)-4-ethoxy-5-methanoyl-benzenesulfonic acid

Systemtic Name: 2-(diethylamino)-4-ethoxy-5-methanoyl-benzenesulfonic acid Openeye Name: 2-(diethylamino)-4-ethoxy-5-formyl-benzenesulfonic acid CAS Name: 2-(diethylamino)-4-ethoxy-5-formylbenzenesulfonic acid IUPAC Name: 2-(diethylamino)-4-ethoxy-5-formylbenzenesulfonic acid Traditional Name: 2-(diethylamino)-4-ethoxy-5-formyl-besylic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)OCC)C=O)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)OCC)C=O)S(=O)(=O)O

InChI

InChI=1S/C13H19NO5S/c1-4-14(5-2)11-8-12(19-6-3)10(9-15)7-13(11)20(16,17)18/h7-9H,4-6H2,1-3H3,(H,16,17,18)