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

Systemtic Name: 3-(3-cyanopropylsulfonyl)-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-(3-cyanopropylsulfonyl)-2,6-difluoro-benzoic acid CAS Name: 3-(3-cyanopropylsulfonyl)-2,6-difluorobenzoic acid IUPAC Name: 3-(3-cyanopropylsulfonyl)-2,6-difluorobenzoic acid Traditional Name: 3-(3-cyanopropylsulfonyl)-2,6-difluoro-benzoic acid Formula: C11H9F2NO4S MolecularWeight: 289.255266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CCCC#N

Isomeric SMILES

C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)CCCC#N

InChI

InChI=1S/C11H9F2NO4S/c12-7-3-4-8(10(13)9(7)11(15)16)19(17,18)6-2-1-5-14/h3-4H,1-2,6H2,(H,15,16)