2-[4-[3-(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)heptoxy]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)heptoxy]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(5-fluoro-3-methyl-benzothiophen-2-yl)heptoxy]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)heptoxy]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(5-fluoro-3-methyl-1-benzothiophen-2-yl)heptoxy]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(5-fluoro-3-methyl-benzothiophen-2-yl)heptoxy]-2-methyl-phenoxy]acetic acid Formula: C25H29FO4S MolecularWeight: 444.558763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCOC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(S2)C=CC(=C3)F)C

Isomeric SMILES

CCCCC(CCOC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(S2)C=CC(=C3)F)C

InChI

InChI=1S/C25H29FO4S/c1-4-5-6-18(25-17(3)21-14-19(26)7-10-23(21)31-25)11-12-29-20-8-9-22(16(2)13-20)30-15-24(27)28/h7-10,13-14,18H,4-6,11-12,15H2,1-3H3,(H,27,28)