azanium sodium 2-ethylbenzenesulfonate

Systemtic Name: azanium sodium 2-ethylbenzenesulfonate Openeye Name: ammonium sodium 2-ethylbenzenesulfonate CAS Name: ammonium sodium 2-ethylbenzenesulfonate IUPAC Name: azanium sodium 2-ethylbenzenesulfonate Traditional Name: ammonium sodium 2-ethylbesylate Formula: C16H22NNaO6S2 MolecularWeight: 411.46875

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1S(=O)(=O)[O-].CCC1=CC=CC=C1S(=O)(=O)[O-].[NH4+].[Na+]

Isomeric SMILES

CCC1=CC=CC=C1S(=O)(=O)[O-].CCC1=CC=CC=C1S(=O)(=O)[O-].[NH4+].[Na+]

InChI

InChI=1S/2C8H10O3S.H3N.Na/c2*1-2-7-5-3-4-6-8(7)12(9,10)11;;/h2*3-6H,2H2,1H3,(H,9,10,11);1H3;/q;;;+1/p-1