2-[2,5-dimethyl-4-(naphthalen-2-ylmethylsulfanyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-(naphthalen-2-ylmethylsulfanyl)phenoxy]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-(2-naphthylmethylsulfanyl)phenoxy]acetic acid CAS Name: 2-[2,5-dimethyl-4-(2-naphthalenylmethylthio)phenoxy]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-(naphthalen-2-ylmethylsulfanyl)phenoxy]acetic acid Traditional Name: 2-[2,5-dimethyl-4-(2-naphthylmethylthio)phenoxy]acetic acid Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC2=CC3=CC=CC=C3C=C2)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCC2=CC3=CC=CC=C3C=C2)C)OCC(=O)O

InChI

InChI=1S/C21H20O3S/c1-14-10-20(15(2)9-19(14)24-12-21(22)23)25-13-16-7-8-17-5-3-4-6-18(17)11-16/h3-11H,12-13H2,1-2H3,(H,22,23)