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

Systemtic Name: 4-fluoranyl-3-(4-methylpentoxymethyl)-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-(isohexyloxymethyl)benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-(4-methylpentoxymethyl)-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-(4-methylpentoxymethyl)-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-(isohexyloxymethyl)benzothiophene-2-carboxylic acid Formula: C16H19FO3S MolecularWeight: 310.383663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC1=C(SC2=CC=CC(=C21)F)C(=O)O

Isomeric SMILES

CC(C)CCCOCC1=C(SC2=CC=CC(=C21)F)C(=O)O

InChI

InChI=1S/C16H19FO3S/c1-10(2)5-4-8-20-9-11-14-12(17)6-3-7-13(14)21-15(11)16(18)19/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,18,19)