sodium 3-azanyl-2,4-diethyl-benzenesulfonate

Systemtic Name: sodium 3-azanyl-2,4-diethyl-benzenesulfonate Openeye Name: sodium 3-amino-2,4-diethyl-benzenesulfonate CAS Name: sodium 3-amino-2,4-diethylbenzenesulfonate IUPAC Name: sodium 3-amino-2,4-diethylbenzenesulfonate Traditional Name: sodium 3-amino-2,4-diethyl-besylate Formula: C10H14NNaO3S MolecularWeight: 251.27783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO3S.Na/c1-3-7-5-6-9(15(12,13)14)8(4-2)10(7)11;/h5-6H,3-4,11H2,1-2H3,(H,12,13,14);/q;+1/p-1