2-[4-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(3,6-dimethylbenzofuran-2-yl)heptylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3-(3,6-dimethyl-2-benzofuranyl)heptylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3-(3,6-dimethylbenzofuran-2-yl)heptylthio]-2-methyl-phenoxy]acetic acid Formula: C26H32O4S MolecularWeight: 440.59488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(O2)C=C(C=C3)C)C

Isomeric SMILES

CCCCC(CCSC1=CC(=C(C=C1)OCC(=O)O)C)C2=C(C3=C(O2)C=C(C=C3)C)C

InChI

InChI=1S/C26H32O4S/c1-5-6-7-20(26-19(4)22-10-8-17(2)14-24(22)30-26)12-13-31-21-9-11-23(18(3)15-21)29-16-25(27)28/h8-11,14-15,20H,5-7,12-13,16H2,1-4H3,(H,27,28)