phenyl 3-octylsulfanylpropanoate

Systemtic Name: phenyl 3-octylsulfanylpropanoate Openeye Name: phenyl 3-octylsulfanylpropanoate CAS Name: 3-(octylthio)propanoic acid phenyl ester IUPAC Name: phenyl 3-octylsulfanylpropanoate Traditional Name: 3-(octylthio)propionic acid phenyl ester Formula: C17H26O2S MolecularWeight: 294.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCSCCC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C17H26O2S/c1-2-3-4-5-6-10-14-20-15-13-17(18)19-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3