4-(2,2-dimethylpropylsulfanyl)benzoic acid

Systemtic Name: 4-(2,2-dimethylpropylsulfanyl)benzoic acid Openeye Name: 4-(2,2-dimethylpropylsulfanyl)benzoic acid CAS Name: 4-(2,2-dimethylpropylthio)benzoic acid IUPAC Name: 4-(2,2-dimethylpropylsulfanyl)benzoic acid Traditional Name: 4-(neopentylthio)benzoic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-12(2,3)8-15-10-6-4-9(5-7-10)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)