sodium 6-sulfanylbenzene-1,2,3,4,5-pentasulfonic acid

Systemtic Name: sodium 6-sulfanylbenzene-1,2,3,4,5-pentasulfonic acid Openeye Name: sodium 6-sulfanylbenzene-1,2,3,4,5-pentasulfonic acid CAS Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentasulfonic acid IUPAC Name: sodium 6-sulfanylbenzene-1,2,3,4,5-pentasulfonic acid Traditional Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentasulfonic acid Formula: C6H6NaO15S6+ MolecularWeight: 533.48261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O15S6.Na/c7-23(8,9)2-1(22)3(24(10,11)12)5(26(16,17)18)6(27(19,20)21)4(2)25(13,14)15;/h22H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21);/q;+1