(1-dodecoxy-3-octadecylsulfanyl-propan-2-yl) 2-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]ethanoate

Systemtic Name: (1-dodecoxy-3-octadecylsulfanyl-propan-2-yl) 2-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]ethanoate Openeye Name: [1-(dodecoxymethyl)-2-octadecylsulfanyl-ethyl] 2-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]acetate CAS Name: 2-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]acetic acid [1-dodecoxy-3-(octadecylthio)propan-2-yl] ester IUPAC Name: (1-dodecoxy-3-octadecylsulfanylpropan-2-yl) 2-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]acetate Traditional Name: 2-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]acetic acid [1-(lauryloxymethyl)-2-(stearylthio)ethyl] ester Formula: C51H94O4S MolecularWeight: 803.35466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCCCCCC)OC(=O)CC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC

InChI

InChI=1S/C51H94O4S/c1-8-11-14-16-18-20-22-23-24-25-26-27-29-31-33-36-39-56-43-47(42-54-38-35-32-30-28-21-19-17-15-12-9-2)55-49(52)41-46-40-48(50(53)45(5)44(46)4)51(6,7)37-34-13-10-3/h40,47,53H,8-39,41-43H2,1-7H3