sodium 4-azanyl-2-ethyl-benzenesulfonate

Systemtic Name: sodium 4-azanyl-2-ethyl-benzenesulfonate Openeye Name: sodium 4-amino-2-ethyl-benzenesulfonate CAS Name: sodium 4-amino-2-ethylbenzenesulfonate IUPAC Name: sodium 4-amino-2-ethylbenzenesulfonate Traditional Name: sodium 4-amino-2-ethyl-besylate Formula: C8H10NNaO3S MolecularWeight: 223.22467

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=C(C=CC(=C1)N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H11NO3S.Na/c1-2-6-5-7(9)3-4-8(6)13(10,11)12;/h3-5H,2,9H2,1H3,(H,10,11,12);/q;+1/p-1