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

Systemtic Name: 2,5-dibutoxy-4-morpholin-4-yl-benzenediazonium; 3,5-dicarboxybenzenesulfonate Openeye Name: 2,5-dibutoxy-4-morpholino-benzenediazonium; 3,5-dicarboxybenzenesulfonate CAS Name: 2,5-dibutoxy-4-(4-morpholinyl)benzenediazonium; 3,5-dicarboxybenzenesulfonate IUPAC Name: 2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium; 3,5-dicarboxybenzenesulfonate Traditional Name: 2,5-dibutoxy-4-morpholino-benzenediazonium; 3,5-dicarboxybesylate Formula: C26H33N3O10S MolecularWeight: 579.61932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CCCCOC1=CC(=C(C=C1[N+]#N)OCCCC)N2CCOCC2.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C18H28N3O3.C8H6O7S/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h13-14H,3-12H2,1-2H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1;/p-1