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

Systemtic Name: 2-[1-bromanyl-6-[6-(4,4-dimethylpentanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[1-bromo-6-[6-(4,4-dimethylpentanoyl)benzothiophen-2-yl]-2-naphthyl]oxy]acetic acid CAS Name: 2-[[1-bromo-6-[6-(4,4-dimethyl-1-oxopentyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[1-bromo-6-[6-(4,4-dimethylpentanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[1-bromo-6-[6-(4,4-dimethylpentanoyl)benzothiophen-2-yl]-2-naphthoxy]acetic acid Formula: C27H25BrO4S MolecularWeight: 525.454

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H25BrO4S/c1-27(2,3)11-10-21(29)17-4-5-19-14-24(33-23(19)13-17)18-6-8-20-16(12-18)7-9-22(26(20)28)32-15-25(30)31/h4-9,12-14H,10-11,15H2,1-3H3,(H,30,31)