3-[1,2-bis(oxidanyl)ethyl]-2,6-dicarboxy-5-[1-[2-(2-hydroxyethyloxy)ethoxy]-2-oxidanyl-ethyl]-4-[1-(2-hydroxyethyloxy)-2-oxidanyl-ethyl]benzenesulfonate

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-2,6-dicarboxy-5-[1-[2-(2-hydroxyethyloxy)ethoxy]-2-oxidanyl-ethyl]-4-[1-(2-hydroxyethyloxy)-2-oxidanyl-ethyl]benzenesulfonate Openeye Name: 2,6-dicarboxy-3-(1,2-dihydroxyethyl)-5-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]benzenesulfonate CAS Name: 2,6-dicarboxy-3-(1,2-dihydroxyethyl)-5-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]benzenesulfonate IUPAC Name: 2,6-dicarboxy-3-(1,2-dihydroxyethyl)-5-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]benzenesulfonate Traditional Name: 2,6-dicarboxy-3-(1,2-dihydroxyethyl)-5-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]besylate Formula: C20H29O16S- MolecularWeight: 557.49966

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Descriptors Computed from Structure

Canonical SMILES:

C(COCCOC(CO)C1=C(C(=C(C(=C1C(=O)O)S(=O)(=O)[O-])C(=O)O)C(CO)O)C(CO)OCCO)O

Isomeric SMILES

C(COCCOC(CO)C1=C(C(=C(C(=C1C(=O)O)S(=O)(=O)[O-])C(=O)O)C(CO)O)C(CO)OCCO)O

InChI

InChI=1S/C20H30O16S/c21-1-3-34-5-6-36-12(9-25)15-14(11(8-24)35-4-2-22)13(10(26)7-23)16(19(27)28)18(37(31,32)33)17(15)20(29)30/h10-12,21-26H,1-9H2,(H,27,28)(H,29,30)(H,31,32,33)/p-1