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

Systemtic Name: 2-[4-[3-(2-cyclohexylethoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-(2-cyclohexylethoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[[3-(2-cyclohexylethoxy)-5-(2-phenylethynyl)phenyl]thio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(2-cyclohexylethoxy)-5-(2-phenylethynyl)phenyl]sulfanyl-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[3-(2-cyclohexylethoxy)-5-(2-phenylethynyl)phenyl]thio]-2-methyl-phenoxy]acetic acid Formula: C31H32O4S MolecularWeight: 500.64838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OCCC3CCCCC3)C#CC4=CC=CC=C4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC(=CC(=C2)OCCC3CCCCC3)C#CC4=CC=CC=C4)OCC(=O)O

InChI

InChI=1S/C31H32O4S/c1-23-18-28(14-15-30(23)35-22-31(32)33)36-29-20-26(13-12-24-8-4-2-5-9-24)19-27(21-29)34-17-16-25-10-6-3-7-11-25/h2,4-5,8-9,14-15,18-21,25H,3,6-7,10-11,16-17,22H2,1H3,(H,32,33)