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

Systemtic Name: sodium 2-methoxy-5-(3-phenyl-5-sulfanylidene-1,2-dithiol-4-yl)benzenesulfonic acid Openeye Name: sodium 2-methoxy-5-(3-phenyl-5-thioxo-dithiol-4-yl)benzenesulfonic acid CAS Name: sodium 2-methoxy-5-(3-phenyl-5-sulfanylidene-4-dithiolyl)benzenesulfonic acid IUPAC Name: sodium 2-methoxy-5-(3-phenyl-5-sulfanylidenedithiol-4-yl)benzenesulfonic acid Traditional Name: sodium 2-methoxy-5-(3-phenyl-5-thioxo-dithiol-4-yl)besylic acid Formula: C16H12NaO4S4+ MolecularWeight: 419.51385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(SSC2=S)C3=CC=CC=C3)S(=O)(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(SSC2=S)C3=CC=CC=C3)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H12O4S4.Na/c1-20-12-8-7-11(9-13(12)24(17,18)19)14-15(22-23-16(14)21)10-5-3-2-4-6-10;/h2-9H,1H3,(H,17,18,19);/q;+1