methyl (E,4R)-4-(2-phenylsulfanylethanoyloxy)dodec-2-enoate

Systemtic Name: methyl (E,4R)-4-(2-phenylsulfanylethanoyloxy)dodec-2-enoate Openeye Name: methyl (E,4R)-4-(2-phenylsulfanylacetyl)oxydodec-2-enoate CAS Name: (E,4R)-4-[1-oxo-2-(phenylthio)ethoxy]-2-dodecenoic acid methyl ester IUPAC Name: methyl (E,4R)-4-(2-phenylsulfanylacetyl)oxydodec-2-enoate Traditional Name: (E,4R)-4-[2-(phenylthio)acetyl]oxydodec-2-enoic acid methyl ester Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC(=O)OC)OC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CCCCCCCC[C@H](/C=C/C(=O)OC)OC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C21H30O4S/c1-3-4-5-6-7-9-12-18(15-16-20(22)24-2)25-21(23)17-26-19-13-10-8-11-14-19/h8,10-11,13-16,18H,3-7,9,12,17H2,1-2H3/b16-15+/t18-/m1/s1