2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propanoic acid

Systemtic Name: 2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propanoic acid Openeye Name: 2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propanoic acid CAS Name: 3-[(4-mercaptophenyl)methoxy]-2,2-dimethylpropanoic acid IUPAC Name: 2,2-dimethyl-3-[(4-sulfanylphenyl)methoxy]propanoic acid Traditional Name: 3-(4-mercaptobenzyl)oxy-2,2-dimethyl-propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COCC1=CC=C(C=C1)S)C(=O)O

Isomeric SMILES

CC(C)(COCC1=CC=C(C=C1)S)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-12(2,11(13)14)8-15-7-9-3-5-10(16)6-4-9/h3-6,16H,7-8H2,1-2H3,(H,13,14)