2-[1-bromanyl-6-[3-(3,3-dimethylbutanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanoic acid

Systemtic Name: 2-[1-bromanyl-6-[3-(3,3-dimethylbutanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[1-bromo-6-[3-(3,3-dimethylbutanoyl)benzothiophen-2-yl]-2-naphthyl]oxy]acetic acid CAS Name: 2-[[1-bromo-6-[3-(3,3-dimethyl-1-oxobutyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[1-bromo-6-[3-(3,3-dimethylbutanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[1-bromo-6-[3-(3,3-dimethylbutanoyl)benzothiophen-2-yl]-2-naphthoxy]acetic acid Formula: C26H23BrO4S MolecularWeight: 511.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

Isomeric SMILES

CC(C)(C)CC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

InChI

InChI=1S/C26H23BrO4S/c1-26(2,3)13-19(28)23-18-6-4-5-7-21(18)32-25(23)16-8-10-17-15(12-16)9-11-20(24(17)27)31-14-22(29)30/h4-12H,13-14H2,1-3H3,(H,29,30)