4-[2-(2,3-dimethylquinoxalin-6-yl)oxyethoxy]benzenesulfonic acid

Systemtic Name: 4-[2-(2,3-dimethylquinoxalin-6-yl)oxyethoxy]benzenesulfonic acid Openeye Name: 4-[2-(2,3-dimethylquinoxalin-6-yl)oxyethoxy]benzenesulfonic acid CAS Name: 4-[2-[(2,3-dimethyl-6-quinoxalinyl)oxy]ethoxy]benzenesulfonic acid IUPAC Name: 4-[2-(2,3-dimethylquinoxalin-6-yl)oxyethoxy]benzenesulfonic acid Traditional Name: 4-[2-(2,3-dimethylquinoxalin-6-yl)oxyethoxy]besylic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OCCOC3=CC=C(C=C3)S(=O)(=O)O)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OCCOC3=CC=C(C=C3)S(=O)(=O)O)N=C1C

InChI

InChI=1S/C18H18N2O5S/c1-12-13(2)20-18-11-15(5-8-17(18)19-12)25-10-9-24-14-3-6-16(7-4-14)26(21,22)23/h3-8,11H,9-10H2,1-2H3,(H,21,22,23)