2-methoxy-5-[(3-methyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[(3-methyl-5-sulfanylidene-1,2-dithiol-4-yl)methyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(3-methyl-5-thioxo-dithiol-4-yl)methyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(3-methyl-5-sulfanylidene-4-dithiolyl)methyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(3-methyl-5-sulfanylidenedithiol-4-yl)methyl]benzenesulfonic acid Traditional Name: 2-methoxy-5-[(3-methyl-5-thioxo-dithiol-4-yl)methyl]besylic acid Formula: C12H12O4S4 MolecularWeight: 348.48128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=S)SS1)CC2=CC(=C(C=C2)OC)S(=O)(=O)O

InChI

InChI=1S/C12H12O4S4/c1-7-9(12(17)19-18-7)5-8-3-4-10(16-2)11(6-8)20(13,14)15/h3-4,6H,5H2,1-2H3,(H,13,14,15)