3-(dibutylamino)-4-ethoxy-benzenesulfonic acid

Systemtic Name: 3-(dibutylamino)-4-ethoxy-benzenesulfonic acid Openeye Name: 3-(dibutylamino)-4-ethoxy-benzenesulfonic acid CAS Name: 3-(dibutylamino)-4-ethoxybenzenesulfonic acid IUPAC Name: 3-(dibutylamino)-4-ethoxybenzenesulfonic acid Traditional Name: 3-(dibutylamino)-4-ethoxy-besylic acid Formula: C16H27NO4S MolecularWeight: 329.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=C(C=CC(=C1)S(=O)(=O)O)OCC

Isomeric SMILES

CCCCN(CCCC)C1=C(C=CC(=C1)S(=O)(=O)O)OCC

InChI

InChI=1S/C16H27NO4S/c1-4-7-11-17(12-8-5-2)15-13-14(22(18,19)20)9-10-16(15)21-6-3/h9-10,13H,4-8,11-12H2,1-3H3,(H,18,19,20)