sodium [4-(2,2-dimethylbutanoyloxy)phenyl]-oxidanyl-methanesulfonate

Systemtic Name: sodium [4-(2,2-dimethylbutanoyloxy)phenyl]-oxidanyl-methanesulfonate Openeye Name: sodium [4-(2,2-dimethylbutanoyloxy)phenyl]-hydroxy-methanesulfonate CAS Name: sodium [4-(2,2-dimethyl-1-oxobutoxy)phenyl]-hydroxymethanesulfonate IUPAC Name: sodium [4-(2,2-dimethylbutanoyloxy)phenyl]-hydroxymethanesulfonate Traditional Name: sodium [4-(2,2-dimethylbutanoyloxy)phenyl]-hydroxy-methanesulfonate Formula: C13H17NaO6S MolecularWeight: 324.32525

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1=CC=C(C=C1)C(O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)(C)C(=O)OC1=CC=C(C=C1)C(O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H18O6S.Na/c1-4-13(2,3)12(15)19-10-7-5-9(6-8-10)11(14)20(16,17)18;/h5-8,11,14H,4H2,1-3H3,(H,16,17,18);/q;+1/p-1