3-[(4-tert-butylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methylthio]propanoic acid IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(4-tert-butylbenzyl)thio]propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSCCC(=O)O

InChI

InChI=1S/C14H20O2S/c1-14(2,3)12-6-4-11(5-7-12)10-17-9-8-13(15)16/h4-7H,8-10H2,1-3H3,(H,15,16)