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

Systemtic Name: sodium 4-[[3-(4-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]methyl]benzenesulfonic acid Openeye Name: sodium 4-[[3-(p-tolyl)-5-thioxo-dithiol-4-yl]methyl]benzenesulfonic acid CAS Name: sodium 4-[[3-(4-methylphenyl)-5-sulfanylidene-4-dithiolyl]methyl]benzenesulfonic acid IUPAC Name: sodium 4-[[3-(4-methylphenyl)-5-sulfanylidenedithiol-4-yl]methyl]benzenesulfonic acid Traditional Name: sodium 4-[[3-(p-tolyl)-5-thioxo-dithiol-4-yl]methyl]besylic acid Formula: C17H14NaO3S4+ MolecularWeight: 417.54103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=S)SS2)CC3=CC=C(C=C3)S(=O)(=O)O.[Na+]

InChI

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