5-(3-cyanopropylsulfonyl)-2-fluoranyl-benzoic acid

Systemtic Name: 5-(3-cyanopropylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-(3-cyanopropylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-(3-cyanopropylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-(3-cyanopropylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-(3-cyanopropylsulfonyl)-2-fluoro-benzoic acid Formula: C11H10FNO4S MolecularWeight: 271.264803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)F

InChI

InChI=1S/C11H10FNO4S/c12-10-4-3-8(7-9(10)11(14)15)18(16,17)6-2-1-5-13/h3-4,7H,1-2,6H2,(H,14,15)