3-(4-ethylphenyl)sulfanylpropanoate

Systemtic Name: 3-(4-ethylphenyl)sulfanylpropanoate Openeye Name: 3-(4-ethylphenyl)sulfanylpropanoate CAS Name: 3-[(4-ethylphenyl)thio]propanoate IUPAC Name: 3-(4-ethylphenyl)sulfanylpropanoate Traditional Name: 3-[(4-ethylphenyl)thio]propionate Formula: C11H13O2S- MolecularWeight: 209.28472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)SCCC(=O)[O-]

InChI

InChI=1S/C11H14O2S/c1-2-9-3-5-10(6-4-9)14-8-7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)/p-1