methyl 3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate Openeye Name: methyl 3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate CAS Name: 3-[4-[2-(dodecylthio)ethoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(2-dodecylsulfanylethoxy)phenyl]propanoate Traditional Name: 3-[4-[2-(laurylthio)ethoxy]phenyl]propionic acid methyl ester Formula: C24H40O3S MolecularWeight: 408.6376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCSCCOC1=CC=C(C=C1)CCC(=O)OC

InChI

InChI=1S/C24H40O3S/c1-3-4-5-6-7-8-9-10-11-12-20-28-21-19-27-23-16-13-22(14-17-23)15-18-24(25)26-2/h13-14,16-17H,3-12,15,18-21H2,1-2H3