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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=S)SS2)C3=CC(=C(C=C3)OC)S(=O)(=O)O.[Na+]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=S)SS2)C3=CC(=C(C=C3)OC)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H16O4S4.Na/c1-3-11-4-6-12(7-5-11)17-16(18(23)25-24-17)13-8-9-14(22-2)15(10-13)26(19,20)21;/h4-10H,3H2,1-2H3,(H,19,20,21);/q;+1