sodium 4-(2-oxidanylpropoxy)benzenesulfonate

Systemtic Name: sodium 4-(2-oxidanylpropoxy)benzenesulfonate Openeye Name: sodium 4-(2-hydroxypropoxy)benzenesulfonate CAS Name: sodium 4-(2-hydroxypropoxy)benzenesulfonate IUPAC Name: sodium 4-(2-hydroxypropoxy)benzenesulfonate Traditional Name: sodium 4-(2-hydroxypropoxy)besylate Formula: C9H11NaO5S MolecularWeight: 254.23541

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=C(C=C1)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CC(COC1=CC=C(C=C1)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C9H12O5S.Na/c1-7(10)6-14-8-2-4-9(5-3-8)15(11,12)13;/h2-5,7,10H,6H2,1H3,(H,11,12,13);/q;+1/p-1