3-[3,5-bis(chloranyl)phenyl]sulfonyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-[3,5-bis(chloranyl)phenyl]sulfonyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-(3,5-dichlorophenyl)sulfonyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[(3,5-dichlorophenyl)sulfonyloxy-oxomethyl]-5-ethoxy-3-hydroxy-5-oxopentanoic acid IUPAC Name: 3-(3,5-dichlorophenyl)sulfonyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxopentanoic acid Traditional Name: 3-(3,5-dichlorophenyl)sulfonyloxycarbonyl-5-ethoxy-3-hydroxy-5-keto-valeric acid Formula: C14H14Cl2O9S MolecularWeight: 429.22656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)O)(C(=O)OS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl)O

Isomeric SMILES

CCOC(=O)CC(CC(=O)O)(C(=O)OS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl)O

InChI

InChI=1S/C14H14Cl2O9S/c1-2-24-12(19)7-14(21,6-11(17)18)13(20)25-26(22,23)10-4-8(15)3-9(16)5-10/h3-5,21H,2,6-7H2,1H3,(H,17,18)