sodium trimethyl 2-sulfanylbenzene-1,3,5-trisulfonate

Systemtic Name: sodium trimethyl 2-sulfanylbenzene-1,3,5-trisulfonate Openeye Name: sodium trimethyl 2-sulfanylbenzene-1,3,5-trisulfonate CAS Name: sodium 2-mercaptobenzene-1,3,5-trisulfonic acid trimethyl ester IUPAC Name: sodium trimethyl 2-sulfanylbenzene-1,3,5-trisulfonate Traditional Name: sodium 2-mercaptobenzene-1,3,5-trisulfonic acid trimethyl ester Formula: C9H12NaO9S4+ MolecularWeight: 415.43595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O9S4.Na/c1-16-20(10,11)6-4-7(21(12,13)17-2)9(19)8(5-6)22(14,15)18-3;/h4-5,19H,1-3H3;/q;+1