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

Systemtic Name: 4-[[3-(3-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]methyl]benzenesulfonic acid Openeye Name: 4-[[3-(m-tolyl)-5-thioxo-dithiol-4-yl]methyl]benzenesulfonic acid CAS Name: 4-[[3-(3-methylphenyl)-5-sulfanylidene-4-dithiolyl]methyl]benzenesulfonic acid IUPAC Name: 4-[[3-(3-methylphenyl)-5-sulfanylidenedithiol-4-yl]methyl]benzenesulfonic acid Traditional Name: 4-[[3-(m-tolyl)-5-thioxo-dithiol-4-yl]methyl]besylic acid Formula: C17H14O3S4 MolecularWeight: 394.55126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14O3S4/c1-11-3-2-4-13(9-11)16-15(17(21)23-22-16)10-12-5-7-14(8-6-12)24(18,19)20/h2-9H,10H2,1H3,(H,18,19,20)