3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholin-4-yl-benzenediazonium

Systemtic Name: 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholin-4-yl-benzenediazonium Openeye Name: 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholino-benzenediazonium CAS Name: 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-(4-morpholinyl)benzenediazonium IUPAC Name: 3,5-dicarboxybenzenesulfonate; 2,5-diethoxy-4-morpholin-4-ylbenzenediazonium Traditional Name: 3,5-dicarboxybesylate; 2,5-diethoxy-4-morpholino-benzenediazonium Formula: C22H25N3O10S MolecularWeight: 523.513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1[N+]#N)OCC)N2CCOCC2.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1[N+]#N)OCC)N2CCOCC2.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C14H20N3O3.C8H6O7S/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h9-10H,3-8H2,1-2H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1;/p-1