4-azanylbenzenesulfonate; 2-[2,4-bis(chloranyl)phenoxy]ethylazanium

Systemtic Name: 4-azanylbenzenesulfonate; 2-[2,4-bis(chloranyl)phenoxy]ethylazanium Openeye Name: 4-aminobenzenesulfonate; 2-(2,4-dichlorophenoxy)ethylammonium CAS Name: 4-aminobenzenesulfonate; 2-(2,4-dichlorophenoxy)ethylammonium IUPAC Name: 4-aminobenzenesulfonate; 2-(2,4-dichlorophenoxy)ethylazanium Traditional Name: 4-aminobesylate; 2-(2,4-dichlorophenoxy)ethylammonium Formula: C14H16Cl2N2O4S MolecularWeight: 379.25884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)OCC[NH3+]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)[O-].C1=CC(=C(C=C1Cl)Cl)OCC[NH3+]

InChI

InChI=1S/C8H9Cl2NO.C6H7NO3S/c9-6-1-2-8(7(10)5-6)12-4-3-11;7-5-1-3-6(4-2-5)11(8,9)10/h1-2,5H,3-4,11H2;1-4H,7H2,(H,8,9,10)