2-but-2-ynyl-2-(4-fluorophenyl)sulfonyl-hex-4-ynoic acid

Systemtic Name: 2-but-2-ynyl-2-(4-fluorophenyl)sulfonyl-hex-4-ynoic acid Openeye Name: 2-but-2-ynyl-2-(4-fluorophenyl)sulfonyl-hex-4-ynoic acid CAS Name: 2-but-2-ynyl-2-(4-fluorophenyl)sulfonyl-4-hexynoic acid IUPAC Name: 2-but-2-ynyl-2-(4-fluorophenyl)sulfonylhex-4-ynoic acid Traditional Name: 2-but-2-ynyl-2-(4-fluorophenyl)sulfonyl-hex-4-ynoic acid Formula: C16H15FO4S MolecularWeight: 322.351303

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)F

Isomeric SMILES

CC#CCC(CC#CC)(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C16H15FO4S/c1-3-5-11-16(15(18)19,12-6-4-2)22(20,21)14-9-7-13(17)8-10-14/h7-10H,11-12H2,1-2H3,(H,18,19)