methyl 3-hexylsulfanyl-3-phenyl-propanoate

Systemtic Name: methyl 3-hexylsulfanyl-3-phenyl-propanoate Openeye Name: methyl 3-hexylsulfanyl-3-phenyl-propanoate CAS Name: 3-(hexylthio)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-hexylsulfanyl-3-phenylpropanoate Traditional Name: 3-(hexylthio)-3-phenyl-propionic acid methyl ester Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCSC(CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C16H24O2S/c1-3-4-5-9-12-19-15(13-16(17)18-2)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3