(phenylmethyl) (E,4S)-4-(2-phenylsulfanylpropanoyloxy)dodec-2-enoate

Systemtic Name: (phenylmethyl) (E,4S)-4-(2-phenylsulfanylpropanoyloxy)dodec-2-enoate Openeye Name: benzyl (E,4S)-4-(2-phenylsulfanylpropanoyloxy)dodec-2-enoate CAS Name: (E,4S)-4-[1-oxo-2-(phenylthio)propoxy]-2-dodecenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,4S)-4-(2-phenylsulfanylpropanoyloxy)dodec-2-enoate Traditional Name: (E,4S)-4-[2-(phenylthio)propanoyloxy]dodec-2-enoic acid benzyl ester Formula: C28H36O4S MolecularWeight: 468.64804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC(=O)OCC1=CC=CC=C1)OC(=O)C(C)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC[C@@H](/C=C/C(=O)OCC1=CC=CC=C1)OC(=O)C(C)SC2=CC=CC=C2

InChI

InChI=1S/C28H36O4S/c1-3-4-5-6-7-12-17-25(20-21-27(29)31-22-24-15-10-8-11-16-24)32-28(30)23(2)33-26-18-13-9-14-19-26/h8-11,13-16,18-21,23,25H,3-7,12,17,22H2,1-2H3/b21-20+/t23?,25-/m0/s1