2-[1-bromanyl-6-[6-(4,4-dimethylhexanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanoic acid

Systemtic Name: 2-[1-bromanyl-6-[6-(4,4-dimethylhexanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[1-bromo-6-[6-(4,4-dimethylhexanoyl)benzothiophen-2-yl]-2-naphthyl]oxy]acetic acid CAS Name: 2-[[1-bromo-6-[6-(4,4-dimethyl-1-oxohexyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[1-bromo-6-[6-(4,4-dimethylhexanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[1-bromo-6-[6-(4,4-dimethylhexanoyl)benzothiophen-2-yl]-2-naphthoxy]acetic acid Formula: C28H27BrO4S MolecularWeight: 539.48058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CCC(=O)C1=CC2=C(C=C1)C=C(S2)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

Isomeric SMILES

CCC(C)(C)CCC(=O)C1=CC2=C(C=C1)C=C(S2)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

InChI

InChI=1S/C28H27BrO4S/c1-4-28(2,3)12-11-22(30)18-5-6-20-15-25(34-24(20)14-18)19-7-9-21-17(13-19)8-10-23(27(21)29)33-16-26(31)32/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,31,32)