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

Systemtic Name: 5-chloranyl-3-(3-cyanopropylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-chloro-3-(3-cyanopropylsulfonyl)-2-fluoro-benzoic acid Formula: C11H9ClFNO4S MolecularWeight: 305.709863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClFNO4S/c12-7-5-8(11(15)16)10(13)9(6-7)19(17,18)4-2-1-3-14/h5-6H,1-2,4H2,(H,15,16)