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

Systemtic Name: sodium 3,5-bis[2-(2-oxidanylpropoxy)ethoxycarbonyl]benzenesulfonate Openeye Name: sodium 3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]benzenesulfonate CAS Name: sodium 3,5-bis[2-(2-hydroxypropoxy)ethoxy-oxomethyl]benzenesulfonate IUPAC Name: sodium 3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]benzenesulfonate Traditional Name: sodium 3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]besylate Formula: C18H25NaO11S MolecularWeight: 472.43927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O11S.Na/c1-12(19)10-26-3-5-28-17(21)14-7-15(9-16(8-14)30(23,24)25)18(22)29-6-4-27-11-13(2)20;/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3,(H,23,24,25);/q;+1/p-1