2,6-bis(fluoranyl)-3-heptylsulfonyl-benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-heptylsulfonyl-benzoic acid Openeye Name: 2,6-difluoro-3-heptylsulfonyl-benzoic acid CAS Name: 2,6-difluoro-3-heptylsulfonylbenzoic acid IUPAC Name: 2,6-difluoro-3-heptylsulfonylbenzoic acid Traditional Name: 2,6-difluoro-3-heptylsulfonyl-benzoic acid Formula: C14H18F2O4S MolecularWeight: 320.352126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

InChI

InChI=1S/C14H18F2O4S/c1-2-3-4-5-6-9-21(19,20)11-8-7-10(15)12(13(11)16)14(17)18/h7-8H,2-6,9H2,1H3,(H,17,18)