4-[4-[3,4-bis(fluoranyl)phenyl]sulfonyloxy-3-ethoxy-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3,4-bis(fluoranyl)phenyl]sulfonyloxy-3-ethoxy-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3,4-difluorophenyl)sulfonyloxy-3-ethoxy-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(3,4-difluorophenyl)sulfonyloxy-3-ethoxyphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3,4-difluorophenyl)sulfonyloxy-3-ethoxyphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(3,4-difluorophenyl)sulfonyloxy-3-ethoxy-phenyl]-4-keto-butyric acid Formula: C18H16F2O7S MolecularWeight: 414.377246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)O)OS(=O)(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)O)OS(=O)(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C18H16F2O7S/c1-2-26-17-9-11(15(21)6-8-18(22)23)3-7-16(17)27-28(24,25)12-4-5-13(19)14(20)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,22,23)