sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentasulfonate

Systemtic Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentasulfonate Openeye Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentasulfonate CAS Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentasulfonic acid pentamethyl ester IUPAC Name: sodium pentamethyl 6-sulfanylbenzene-1,2,3,4,5-pentasulfonate Traditional Name: sodium 6-mercaptobenzene-1,2,3,4,5-pentasulfonic acid pentamethyl ester Formula: C11H16NaO15S6+ MolecularWeight: 603.61551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O15S6.Na/c1-22-28(12,13)7-6(27)8(29(14,15)23-2)10(31(18,19)25-4)11(32(20,21)26-5)9(7)30(16,17)24-3;/h27H,1-5H3;/q;+1