sodium 3,5-bis[2-(2-hydroxyethyloxy)ethoxycarbonyl]benzenesulfonate

Systemtic Name: sodium 3,5-bis[2-(2-hydroxyethyloxy)ethoxycarbonyl]benzenesulfonate Openeye Name: sodium 3,5-bis[2-(2-hydroxyethoxy)ethoxycarbonyl]benzenesulfonate CAS Name: sodium 3,5-bis[2-(2-hydroxyethoxy)ethoxy-oxomethyl]benzenesulfonate IUPAC Name: sodium 3,5-bis[2-(2-hydroxyethoxy)ethoxycarbonyl]benzenesulfonate Traditional Name: sodium 3,5-bis[2-(2-hydroxyethoxy)ethoxycarbonyl]besylate Formula: C16H21NaO11S MolecularWeight: 444.38611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O11S.Na/c17-1-3-24-5-7-26-15(19)12-9-13(11-14(10-12)28(21,22)23)16(20)27-8-6-25-4-2-18;/h9-11,17-18H,1-8H2,(H,21,22,23);/q;+1/p-1