3-(2-hydroxyethyloxycarbonyl)-5-(2-hydroxyethylperoxymethyl)benzenesulfonate

Systemtic Name: 3-(2-hydroxyethyloxycarbonyl)-5-(2-hydroxyethylperoxymethyl)benzenesulfonate Openeye Name: 3-(2-hydroxyethoxycarbonyl)-5-(2-hydroxyethylperoxymethyl)benzenesulfonate CAS Name: 3-[2-hydroxyethoxy(oxo)methyl]-5-(2-hydroxyethyldioxymethyl)benzenesulfonate IUPAC Name: 3-(2-hydroxyethoxycarbonyl)-5-(2-hydroxyethylperoxymethyl)benzenesulfonate Traditional Name: 3-(2-hydroxyethoxycarbonyl)-5-(2-hydroxyethylperoxymethyl)besylate Formula: C12H15O9S- MolecularWeight: 335.3071

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)OCCO)COOCCO

Isomeric SMILES

C1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)OCCO)COOCCO

InChI

InChI=1S/C12H16O9S/c13-1-3-19-12(15)10-5-9(8-21-20-4-2-14)6-11(7-10)22(16,17)18/h5-7,13-14H,1-4,8H2,(H,16,17,18)/p-1