2-[2-methyl-4-(2-naphthalen-2-ylethylsulfanyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-(2-naphthalen-2-ylethylsulfanyl)phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[2-(2-naphthyl)ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[2-(2-naphthalenyl)ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-(2-naphthalen-2-ylethylsulfanyl)phenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[2-(2-naphthyl)ethylthio]phenoxy]acetic acid Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCC2=CC3=CC=CC=C3C=C2)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCC2=CC3=CC=CC=C3C=C2)OCC(=O)O

InChI

InChI=1S/C21H20O3S/c1-15-12-19(8-9-20(15)24-14-21(22)23)25-11-10-16-6-7-17-4-2-3-5-18(17)13-16/h2-9,12-13H,10-11,14H2,1H3,(H,22,23)