sodium 2-azanyl-5-chloranyl-4-ethyl-benzenesulfonate

Systemtic Name: sodium 2-azanyl-5-chloranyl-4-ethyl-benzenesulfonate Openeye Name: sodium 2-amino-5-chloro-4-ethyl-benzenesulfonate CAS Name: sodium 2-amino-5-chloro-4-ethylbenzenesulfonate IUPAC Name: sodium 2-amino-5-chloro-4-ethylbenzenesulfonate Traditional Name: sodium 2-amino-5-chloro-4-ethyl-besylate Formula: C8H9ClNNaO3S MolecularWeight: 257.66973

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C8H10ClNO3S.Na/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13;/h3-4H,2,10H2,1H3,(H,11,12,13);/q;+1/p-1