propyl 3-hexadecylsulfanyl-2-[2-(phenylcarbonyloxy)propyl]benzoate

Systemtic Name: propyl 3-hexadecylsulfanyl-2-[2-(phenylcarbonyloxy)propyl]benzoate Openeye Name: propyl 2-(2-benzoyloxypropyl)-3-hexadecylsulfanyl-benzoate CAS Name: 2-(2-benzoyloxypropyl)-3-(hexadecylthio)benzoic acid propyl ester IUPAC Name: propyl 2-(2-benzoyloxypropyl)-3-hexadecylsulfanylbenzoate Traditional Name: 2-(2-benzoyloxypropyl)-3-(cetylthio)benzoic acid propyl ester Formula: C36H54O4S MolecularWeight: 582.87656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=CC(=C1CC(C)OC(=O)C2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=CC(=C1CC(C)OC(=O)C2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C36H54O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-28-41-34-26-22-25-32(36(38)39-27-5-2)33(34)29-30(3)40-35(37)31-23-19-18-20-24-31/h18-20,22-26,30H,4-17,21,27-29H2,1-3H3