3-fluoranyl-4-methyl-5-prop-2-ynylsulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-prop-2-ynylsulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-prop-2-ynylsulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-prop-2-ynylsulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-prop-2-ynylsulfonylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-propargylsulfonyl-benzoic acid Formula: C11H9FO4S MolecularWeight: 256.250163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC#C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC#C)C(=O)O)F

InChI

InChI=1S/C11H9FO4S/c1-3-4-17(15,16)10-6-8(11(13)14)5-9(12)7(10)2/h1,5-6H,4H2,2H3,(H,13,14)