3-(4-tert-butylphenyl)sulfanylpropanoate

Systemtic Name: 3-(4-tert-butylphenyl)sulfanylpropanoate Openeye Name: 3-(4-tert-butylphenyl)sulfanylpropanoate CAS Name: 3-[(4-tert-butylphenyl)thio]propanoate IUPAC Name: 3-(4-tert-butylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-tert-butylphenyl)thio]propionate Formula: C13H17O2S- MolecularWeight: 237.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-13(2,3)10-4-6-11(7-5-10)16-9-8-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)/p-1