3,4,5,6-tetramethylthionine-2-carboxylate

Systemtic Name: 3,4,5,6-tetramethylthionine-2-carboxylate Openeye Name: 3,4,5,6-tetramethylthionine-2-carboxylate CAS Name: 3,4,5,6-tetramethyl-2-thionincarboxylate IUPAC Name: 3,4,5,6-tetramethylthionine-2-carboxylate Traditional Name: 3,4,5,6-tetramethylthionin-2-carboxylate Formula: C13H15O2S- MolecularWeight: 235.322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CSC(=C(C(=C1C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CSC(=C(C(=C1C)C)C)C(=O)[O-]

InChI

InChI=1S/C13H16O2S/c1-8-6-5-7-16-12(13(14)15)11(4)10(3)9(8)2/h5-7H,1-4H3,(H,14,15)/p-1