2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]acetic acid CAS Name: 2-[2-[(2,6-dimethylphenyl)methylthio]phenyl]acetic acid IUPAC Name: 2-[2-[(2,6-dimethylphenyl)methylsulfanyl]phenyl]acetic acid Traditional Name: 2-[2-[(2,6-dimethylbenzyl)thio]phenyl]acetic acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CSC2=CC=CC=C2CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)CSC2=CC=CC=C2CC(=O)O

InChI

InChI=1S/C17H18O2S/c1-12-6-5-7-13(2)15(12)11-20-16-9-4-3-8-14(16)10-17(18)19/h3-9H,10-11H2,1-2H3,(H,18,19)