4-ethoxybenzenesulfonate; pyridin-2-ylazanium

Systemtic Name: 4-ethoxybenzenesulfonate; pyridin-2-ylazanium Openeye Name: 4-ethoxybenzenesulfonate; 2-pyridylammonium CAS Name: 4-ethoxybenzenesulfonate; 2-pyridinylammonium IUPAC Name: 4-ethoxybenzenesulfonate; pyridin-2-ylazanium Traditional Name: 4-ethoxybesylate; 2-pyridylammonium Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[NH3+]

InChI

InChI=1S/C8H10O4S.C5H6N2/c1-2-12-7-3-5-8(6-4-7)13(9,10)11;6-5-3-1-2-4-7-5/h3-6H,2H2,1H3,(H,9,10,11);1-4H,(H2,6,7)