2,3,4,5-tetramethylthionine sulfate

Systemtic Name: 2,3,4,5-tetramethylthionine sulfate Openeye Name: 2,3,4,5-tetramethylthionine sulfate CAS Name: 2,3,4,5-tetramethylthionin sulfate IUPAC Name: 2,3,4,5-tetramethylthionine sulfate Traditional Name: 2,3,4,5-tetramethylthionin sulfate Formula: C12H16O4S2-2 MolecularWeight: 288.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(SC=CC=C1)C)C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(SC=CC=C1)C)C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H16S.H2O4S/c1-9-7-5-6-8-13-12(4)11(3)10(9)2;1-5(2,3)4/h5-8H,1-4H3;(H2,1,2,3,4)/p-2