3-[1-(2-hydroxyethyloxy)-3,4-bis(oxidanyl)butan-2-yl]oxycarbonyl-2-sulfo-benzoic acid

Systemtic Name: 3-[1-(2-hydroxyethyloxy)-3,4-bis(oxidanyl)butan-2-yl]oxycarbonyl-2-sulfo-benzoic acid Openeye Name: 3-[2,3-dihydroxy-1-(2-hydroxyethoxymethyl)propoxy]carbonyl-2-sulfo-benzoic acid CAS Name: 3-[[3,4-dihydroxy-1-(2-hydroxyethoxy)butan-2-yl]oxy-oxomethyl]-2-sulfobenzoic acid IUPAC Name: 3-[3,4-dihydroxy-1-(2-hydroxyethoxy)butan-2-yl]oxycarbonyl-2-sulfobenzoic acid Traditional Name: 3-[2,3-dihydroxy-1-(2-hydroxyethoxymethyl)propoxy]carbonyl-2-sulfo-benzoic acid Formula: C14H18O11S MolecularWeight: 394.35112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)OC(COCCO)C(CO)O)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)OC(COCCO)C(CO)O)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H18O11S/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/h1-3,10-11,15-17H,4-7H2,(H,18,19)(H,21,22,23)