sodium 3-[1-(2-hydroxyethyloxy)-3,4-bis(oxidanyl)butan-2-yl]oxycarbonyl-2-sulfo-benzene-5-ide-1-carboxylic acid

Systemtic Name: sodium 3-[1-(2-hydroxyethyloxy)-3,4-bis(oxidanyl)butan-2-yl]oxycarbonyl-2-sulfo-benzene-5-ide-1-carboxylic acid Openeye Name: sodium 3-[2,3-dihydroxy-1-(2-hydroxyethoxymethyl)propoxy]carbonyl-2-sulfo-benzene-5-ide-1-carboxylic acid CAS Name: sodium 3-[[3,4-dihydroxy-1-(2-hydroxyethoxy)butan-2-yl]oxy-oxomethyl]-2-sulfo-1-benzene-5-idecarboxylic acid IUPAC Name: sodium 3-[3,4-dihydroxy-1-(2-hydroxyethoxy)butan-2-yl]oxycarbonyl-2-sulfobenzene-5-ide-1-carboxylic acid Traditional Name: sodium 3-[2,3-dihydroxy-1-(2-hydroxyethoxymethyl)propoxy]carbonyl-2-sulfo-benzene-5-ide-1-carboxylic acid Formula: C14H17NaO11S MolecularWeight: 416.33295

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Descriptors Computed from Structure

Canonical SMILES:

C1=[C-]C=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)OC(COCCO)C(CO)O.[Na+]

Isomeric SMILES

C1=[C-]C=C(C(=C1C(=O)O)S(=O)(=O)O)C(=O)OC(COCCO)C(CO)O.[Na+]

InChI

InChI=1S/C14H17O11S.Na/c15-4-5-24-7-11(10(17)6-16)25-14(20)9-3-1-2-8(13(18)19)12(9)26(21,22)23;/h2-3,10-11,15-17H,4-7H2,(H,18,19)(H,21,22,23);/q-1;+1