sodium 1,1,2,2-tetradeuterio-2-(phenylcarbonylsulfanyl)ethanesulfonate

Systemtic Name: sodium 1,1,2,2-tetradeuterio-2-(phenylcarbonylsulfanyl)ethanesulfonate Openeye Name: sodium 2-benzoylsulfanyl-1,1,2,2-tetradeuterio-ethanesulfonate CAS Name: sodium 2-(benzoylthio)-1,1,2,2-tetradeuterioethanesulfonate IUPAC Name: sodium 2-benzoylsulfanyl-1,1,2,2-tetradeuterioethanesulfonate Traditional Name: sodium 2-(benzoylthio)-1,1,2,2-tetradeuterio-ethanesulfonate Formula: C9H9NaO4S2 MolecularWeight: 272.309777

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)C1=CC=CC=C1.[Na+]

InChI

InChI=1S/C9H10O4S2.Na/c10-9(8-4-2-1-3-5-8)14-6-7-15(11,12)13;/h1-5H,6-7H2,(H,11,12,13);/q;+1/p-1/i6D2,7D2;