2-[4-[3-cyclopentyloxy-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-cyclopentyloxy-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(cyclopentoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3-cyclopentyloxy-5-(2-phenylethynyl)phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-cyclopentyloxy-5-(2-phenylethynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3-(cyclopentoxy)-5-(2-phenylethynyl)phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C28H26O4S MolecularWeight: 458.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OC3CCCC3)C#CC4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OC3CCCC3)C#CC4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C28H26O4S/c1-20-15-25(13-14-27(20)31-19-28(29)30)33-26-17-22(12-11-21-7-3-2-4-8-21)16-24(18-26)32-23-9-5-6-10-23/h2-4,7-8,13-18,23H,5-6,9-10,19H2,1H3,(H,29,30)