lithium 2-ethyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: lithium 2-ethyl-1,3-benzothiazole-6-sulfonate Openeye Name: lithium 2-ethyl-1,3-benzothiazole-6-sulfonate CAS Name: lithium 2-ethyl-1,3-benzothiazole-6-sulfonate IUPAC Name: lithium 2-ethyl-1,3-benzothiazole-6-sulfonate Traditional Name: lithium 2-ethyl-1,3-benzothiazole-6-sulfonate Formula: C9H8LiNO3S2 MolecularWeight: 249.23572

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

[Li+].CCC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9NO3S2.Li/c1-2-9-10-7-4-3-6(15(11,12)13)5-8(7)14-9;/h3-5H,2H2,1H3,(H,11,12,13);/q;+1/p-1