2-[[3-[2-(dicyclohexylmethylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[2-(dicyclohexylmethylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-[2-(dicyclohexylmethylsulfanyl)ethyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[2-(dicyclohexylmethylthio)ethyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-[2-(dicyclohexylmethylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[2-(dicyclohexylmethylthio)ethyl]benzofuran-7-yl]oxyacetic acid Formula: C25H34O4S MolecularWeight: 430.60006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2CCCCC2)SCCC3=COC4=C3C=CC=C4OCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(C2CCCCC2)SCCC3=COC4=C3C=CC=C4OCC(=O)O

InChI

InChI=1S/C25H34O4S/c26-23(27)17-28-22-13-7-12-21-20(16-29-24(21)22)14-15-30-25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h7,12-13,16,18-19,25H,1-6,8-11,14-15,17H2,(H,26,27)