sodium 2-sulfanylbenzene-1,3,5-trisulfonic acid

Systemtic Name: sodium 2-sulfanylbenzene-1,3,5-trisulfonic acid Openeye Name: sodium 2-sulfanylbenzene-1,3,5-trisulfonic acid CAS Name: sodium 2-mercaptobenzene-1,3,5-trisulfonic acid IUPAC Name: sodium 2-sulfanylbenzene-1,3,5-trisulfonic acid Traditional Name: sodium 2-mercaptobenzene-1,3,5-trisulfonic acid Formula: C6H6NaO9S4+ MolecularWeight: 373.35621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)S)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)S)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C6H6O9S4.Na/c7-17(8,9)3-1-4(18(10,11)12)6(16)5(2-3)19(13,14)15;/h1-2,16H,(H,7,8,9)(H,10,11,12)(H,13,14,15);/q;+1