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

Systemtic Name: 2-[4-[3-(2-ethylbutoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(2-ethylbutoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3-(2-ethylbutoxy)-5-(2-phenylethynyl)phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(2-ethylbutoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3-(2-ethylbutoxy)-5-(2-phenylethynyl)phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C29H30O4S MolecularWeight: 474.6111

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1=CC(=CC(=C1)C#CC2=CC=CC=C2)SC3=CC(=C(C=C3)OCC(=O)O)C

Isomeric SMILES

CCC(CC)COC1=CC(=CC(=C1)C#CC2=CC=CC=C2)SC3=CC(=C(C=C3)OCC(=O)O)C

InChI

InChI=1S/C29H30O4S/c1-4-22(5-2)19-32-25-16-24(12-11-23-9-7-6-8-10-23)17-27(18-25)34-26-13-14-28(21(3)15-26)33-20-29(30)31/h6-10,13-18,22H,4-5,19-20H2,1-3H3,(H,30,31)