1-[2,4-bis(fluoranyl)phenyl]sulfonylcycloheptane-1-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]sulfonylcycloheptane-1-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)sulfonylcycloheptanecarboxylic acid CAS Name: 1-(2,4-difluorophenyl)sulfonyl-1-cycloheptanecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)sulfonylcycloheptane-1-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)sulfonylcycloheptanecarboxylic acid Formula: C14H16F2O4S MolecularWeight: 318.336246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)S(=O)(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H16F2O4S/c15-10-5-6-12(11(16)9-10)21(19,20)14(13(17)18)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,17,18)