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

Systemtic Name: sodium 4-methoxy-2-[[3-(4-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]methyl]benzenesulfonic acid Openeye Name: sodium 4-methoxy-2-[[3-(p-tolyl)-5-thioxo-dithiol-4-yl]methyl]benzenesulfonic acid CAS Name: sodium 4-methoxy-2-[[3-(4-methylphenyl)-5-sulfanylidene-4-dithiolyl]methyl]benzenesulfonic acid IUPAC Name: sodium 4-methoxy-2-[[3-(4-methylphenyl)-5-sulfanylidenedithiol-4-yl]methyl]benzenesulfonic acid Traditional Name: sodium 4-methoxy-2-[[3-(p-tolyl)-5-thioxo-dithiol-4-yl]methyl]besylic acid Formula: C18H16NaO4S4+ MolecularWeight: 447.56701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S4.Na/c1-11-3-5-12(6-4-11)17-15(18(23)25-24-17)10-13-9-14(22-2)7-8-16(13)26(19,20)21;/h3-9H,10H2,1-2H3,(H,19,20,21);/q;+1