2-[3-methyl-4-(2-naphthalen-1-ylethylsulfanyl)phenoxy]propanoic acid

Systemtic Name: 2-[3-methyl-4-(2-naphthalen-1-ylethylsulfanyl)phenoxy]propanoic acid Openeye Name: 2-[3-methyl-4-[2-(1-naphthyl)ethylsulfanyl]phenoxy]propanoic acid CAS Name: 2-[3-methyl-4-[2-(1-naphthalenyl)ethylthio]phenoxy]propanoic acid IUPAC Name: 2-[3-methyl-4-(2-naphthalen-1-ylethylsulfanyl)phenoxy]propanoic acid Traditional Name: 2-[3-methyl-4-[2-(1-naphthyl)ethylthio]phenoxy]propionic acid Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)O)SCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)O)SCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22O3S/c1-15-14-19(25-16(2)22(23)24)10-11-21(15)26-13-12-18-8-5-7-17-6-3-4-9-20(17)18/h3-11,14,16H,12-13H2,1-2H3,(H,23,24)