4-fluoranyl-3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(propylsulfonylmethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(propylsulfonylmethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(propylsulfonylmethyl)benzothiophene-2-carboxylic acid Formula: C13H13FO4S2 MolecularWeight: 316.368323

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)CC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C13H13FO4S2/c1-2-6-20(17,18)7-8-11-9(14)4-3-5-10(11)19-12(8)13(15)16/h3-5H,2,6-7H2,1H3,(H,15,16)