sodium 3-(3,5-dicarboxyphenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(3,5-dicarboxyphenoxy)propane-1-sulfonate Openeye Name: sodium 3-(3,5-dicarboxyphenoxy)propane-1-sulfonate CAS Name: sodium 3-(3,5-dicarboxyphenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(3,5-dicarboxyphenoxy)propane-1-sulfonate Traditional Name: sodium 3-(3,5-dicarboxyphenoxy)propane-1-sulfonate Formula: C11H11NaO8S MolecularWeight: 326.25501

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)[O-])C(=O)O.[Na+]

Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)[O-])C(=O)O.[Na+]

InChI

InChI=1S/C11H12O8S.Na/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18;/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18);/q;+1/p-1