1-phenylsulfanylethyl 2,2-dimethylpropanoate

Systemtic Name: 1-phenylsulfanylethyl 2,2-dimethylpropanoate Openeye Name: 1-phenylsulfanylethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 1-(phenylthio)ethyl ester IUPAC Name: 1-phenylsulfanylethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 1-(phenylthio)ethyl ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C(C)(C)C)SC1=CC=CC=C1

Isomeric SMILES

CC(OC(=O)C(C)(C)C)SC1=CC=CC=C1

InChI

InChI=1S/C13H18O2S/c1-10(15-12(14)13(2,3)4)16-11-8-6-5-7-9-11/h5-10H,1-4H3