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

Systemtic Name: sodium 2-methoxy-5-[3-(3-methylphenyl)-5-sulfanylidene-1,2-dithiol-4-yl]benzenesulfonic acid Openeye Name: sodium 2-methoxy-5-[3-(m-tolyl)-5-thioxo-dithiol-4-yl]benzenesulfonic acid CAS Name: sodium 2-methoxy-5-[3-(3-methylphenyl)-5-sulfanylidene-4-dithiolyl]benzenesulfonic acid IUPAC Name: sodium 2-methoxy-5-[3-(3-methylphenyl)-5-sulfanylidenedithiol-4-yl]benzenesulfonic acid Traditional Name: sodium 2-methoxy-5-[3-(m-tolyl)-5-thioxo-dithiol-4-yl]besylic acid Formula: C17H14NaO4S4+ MolecularWeight: 433.54043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O4S4.Na/c1-10-4-3-5-12(8-10)16-15(17(22)24-23-16)11-6-7-13(21-2)14(9-11)25(18,19)20;/h3-9H,1-2H3,(H,18,19,20);/q;+1