methyl 3-(1-phenylbutylsulfanyl)propanoate

Systemtic Name: methyl 3-(1-phenylbutylsulfanyl)propanoate Openeye Name: methyl 3-(1-phenylbutylsulfanyl)propanoate CAS Name: 3-(1-phenylbutylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(1-phenylbutylsulfanyl)propanoate Traditional Name: 3-(1-phenylbutylthio)propionic acid methyl ester Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)SCCC(=O)OC

Isomeric SMILES

CCCC(C1=CC=CC=C1)SCCC(=O)OC

InChI

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