sodium 3-[3,5-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[3,5-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate Openeye Name: sodium 3-[3,5-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate CAS Name: sodium 3-[3,5-bis(methoxycarbonyl)phenoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3,5-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate Traditional Name: sodium 3-(3,5-dicarbomethoxyphenoxy)propane-1-sulfonate Formula: C13H15NaO8S MolecularWeight: 354.30817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O8S.Na/c1-19-12(14)9-6-10(13(15)20-2)8-11(7-9)21-4-3-5-22(16,17)18;/h6-8H,3-5H2,1-2H3,(H,16,17,18);/q;+1/p-1