methyl 4-phenylsulfanylbutanoate

Systemtic Name: methyl 4-phenylsulfanylbutanoate Openeye Name: methyl 4-phenylsulfanylbutanoate CAS Name: 4-(phenylthio)butanoic acid methyl ester IUPAC Name: methyl 4-phenylsulfanylbutanoate Traditional Name: 4-(phenylthio)butyric acid methyl ester Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCSC1=CC=CC=C1

InChI

InChI=1S/C11H14O2S/c1-13-11(12)8-5-9-14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3