3,5-dicarboxybenzenesulfonate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium

Systemtic Name: 3,5-dicarboxybenzenesulfonate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium Openeye Name: 3,5-dicarboxybenzenesulfonate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium CAS Name: 3,5-dicarboxybenzenesulfonate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium IUPAC Name: 3,5-dicarboxybenzenesulfonate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium Traditional Name: 3,5-dicarboxybesylate; 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC=C(C=C1)[N+]#N.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CCN(CCO)C1=CC=C(C=C1)[N+]#N.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C10H14N3O.C8H6O7S/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3-6,14H,2,7-8H2,1H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1;/p-1