sodium 3-(4-methoxycarbonylphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(4-methoxycarbonylphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(4-methoxycarbonylphenoxy)propane-1-sulfonate CAS Name: sodium 3-(4-methoxycarbonylphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(4-methoxycarbonylphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(4-carbomethoxyphenoxy)propane-1-sulfonate Formula: C11H13NaO6S MolecularWeight: 296.27209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O6S.Na/c1-16-11(12)9-3-5-10(6-4-9)17-7-2-8-18(13,14)15;/h3-6H,2,7-8H2,1H3,(H,13,14,15);/q;+1/p-1