4-(diethylamino)-2-ethoxy-benzenediazonium; 4-methylbenzenesulfonate

Systemtic Name: 4-(diethylamino)-2-ethoxy-benzenediazonium; 4-methylbenzenesulfonate Openeye Name: 4-(diethylamino)-2-ethoxy-benzenediazonium; 4-methylbenzenesulfonate CAS Name: 4-(diethylamino)-2-ethoxybenzenediazonium; 4-methylbenzenesulfonate IUPAC Name: 4-(diethylamino)-2-ethoxybenzenediazonium; 4-methylbenzenesulfonate Traditional Name: 4-(diethylamino)-2-ethoxy-benzenediazonium tosylate Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)[N+]#N)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)[N+]#N)OCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H18N3O.C7H8O3S/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h7-9H,4-6H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1