sodium 2-carboxy-5-(dioxidanylmethyl)benzenesulfonate

Systemtic Name: sodium 2-carboxy-5-(dioxidanylmethyl)benzenesulfonate Openeye Name: sodium 2-carboxy-5-(hydroperoxymethyl)benzenesulfonate CAS Name: sodium 2-carboxy-5-(hydroperoxymethyl)benzenesulfonate IUPAC Name: sodium 2-carboxy-5-(hydroperoxymethyl)benzenesulfonate Traditional Name: sodium 2-carboxy-5-(hydroperoxymethyl)besylate Formula: C8H7NaO7S MolecularWeight: 270.19175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COO)S(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1COO)S(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C8H8O7S.Na/c9-8(10)6-2-1-5(4-15-11)3-7(6)16(12,13)14;/h1-3,11H,4H2,(H,9,10)(H,12,13,14);/q;+1/p-1