3-(2-methoxyphenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: 3-(2-methoxyphenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: 3-(2-methoxyphenyl)sulfanyl-3-methyl-butanoic acid CAS Name: 3-[(2-methoxyphenyl)thio]-3-methylbutanoic acid IUPAC Name: 3-(2-methoxyphenyl)sulfanyl-3-methylbutanoic acid Traditional Name: 3-[(2-methoxyphenyl)thio]-3-methyl-butyric acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)SC1=CC=CC=C1OC

Isomeric SMILES

CC(C)(CC(=O)O)SC1=CC=CC=C1OC

InChI

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