3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[[(3,4-dichlorophenyl)thio]oxy-oxomethyl]-5-ethoxy-3-hydroxy-5-oxopentanoic acid IUPAC Name: 3-(3,4-dichlorophenyl)sulfanyloxycarbonyl-5-ethoxy-3-hydroxy-5-oxopentanoic acid Traditional Name: 3-[(3,4-dichlorophenyl)thio]oxycarbonyl-5-ethoxy-3-hydroxy-5-keto-valeric acid Formula: C14H14Cl2O7S MolecularWeight: 397.22776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(=O)O)(C(=O)OSC1=CC(=C(C=C1)Cl)Cl)O

Isomeric SMILES

CCOC(=O)CC(CC(=O)O)(C(=O)OSC1=CC(=C(C=C1)Cl)Cl)O

InChI

InChI=1S/C14H14Cl2O7S/c1-2-22-12(19)7-14(21,6-11(17)18)13(20)23-24-8-3-4-9(15)10(16)5-8/h3-5,21H,2,6-7H2,1H3,(H,17,18)