2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(4-methoxyphenyl)methylthio]-2-methylpropanoic acid IUPAC Name: 2-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoic acid Traditional Name: 2-methyl-2-(p-anisylthio)propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CC(C)(C(=O)O)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H16O3S/c1-12(2,11(13)14)16-8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14)