4-fluoranyl-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 3-(1,3-dimethylbutoxymethyl)-4-fluoro-benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 3-(1,3-dimethylbutoxymethyl)-4-fluoro-benzothiophene-2-carboxylic acid Formula: C16H19FO3S MolecularWeight: 310.383663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CC(C)CC(C)OCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C16H19FO3S/c1-9(2)7-10(3)20-8-11-14-12(17)5-4-6-13(14)21-15(11)16(18)19/h4-6,9-10H,7-8H2,1-3H3,(H,18,19)