2-ethylhexyl 3-phenylsulfanylpropanoate

Systemtic Name: 2-ethylhexyl 3-phenylsulfanylpropanoate Openeye Name: 2-ethylhexyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid 2-ethylhexyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)COC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C17H26O2S/c1-3-5-9-15(4-2)14-19-17(18)12-13-20-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3