3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[(4-methoxyphenyl)methylthio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[(4-methoxyphenyl)methylsulfanyl]-2,2-dimethylpropanoic acid Traditional Name: 2,2-dimethyl-3-(p-anisylthio)propionic acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(C)(CSCC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C13H18O3S/c1-13(2,12(14)15)9-17-8-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)