(2S)-2-[(4-tert-butylphenyl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(4-tert-butylphenyl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(4-tert-butylphenyl)methylthio]propanoate IUPAC Name: (2S)-2-[(4-tert-butylphenyl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzyl)thio]propionate Formula: C14H19O2S- MolecularWeight: 251.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C14H20O2S/c1-10(13(15)16)17-9-11-5-7-12(8-6-11)14(2,3)4/h5-8,10H,9H2,1-4H3,(H,15,16)/p-1/t10-/m0/s1