dodecylsulfanyl 2-[3-(2-methylbutan-2-yl)-4-oxidanyl-5-propyl-phenyl]propanoate

Systemtic Name: dodecylsulfanyl 2-[3-(2-methylbutan-2-yl)-4-oxidanyl-5-propyl-phenyl]propanoate Openeye Name: dodecylsulfanyl 2-[3-(1,1-dimethylpropyl)-4-hydroxy-5-propyl-phenyl]propanoate CAS Name: 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propylphenyl]propanoic acid (dodecylthio) ester IUPAC Name: dodecylsulfanyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propylphenyl]propanoate Traditional Name: 2-(3-tert-amyl-4-hydroxy-5-propyl-phenyl)propionic acid (laurylthio) ester Formula: C29H50O3S MolecularWeight: 478.7705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSOC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)CC)O)CCC

Isomeric SMILES

CCCCCCCCCCCCSOC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)CC)O)CCC

InChI

InChI=1S/C29H50O3S/c1-7-10-11-12-13-14-15-16-17-18-20-33-32-28(31)23(4)25-21-24(19-8-2)27(30)26(22-25)29(5,6)9-3/h21-23,30H,7-20H2,1-6H3