2,3,4,5-tetramethylthionine methanoate

Systemtic Name: 2,3,4,5-tetramethylthionine methanoate Openeye Name: 2,3,4,5-tetramethylthionine formate CAS Name: 2,3,4,5-tetramethylthionin formate IUPAC Name: 2,3,4,5-tetramethylthionine formate Traditional Name: 2,3,4,5-tetramethylthionin formate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16S.CH2O2/c1-9-7-5-6-8-13-12(4)11(3)10(9)2;2-1-3/h5-8H,1-4H3;1H,(H,2,3)/p-1