(1-dodecoxy-3-dodecylsulfanyl-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: (1-dodecoxy-3-dodecylsulfanyl-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [1-(dodecoxymethyl)-2-dodecylsulfanyl-ethyl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid [1-dodecoxy-3-(dodecylthio)propan-2-yl] ester IUPAC Name: (1-dodecoxy-3-dodecylsulfanylpropan-2-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [1-(lauryloxymethyl)-2-(laurylthio)ethyl] ester Formula: C41H74O4S MolecularWeight: 663.08886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCOCC(CSCCCCCCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C41H74O4S/c1-7-9-11-13-15-17-19-21-23-25-29-44-33-37(34-46-30-26-24-22-20-18-16-14-12-10-8-2)45-39(42)28-27-36-31-35(3)40(43)38(32-36)41(4,5)6/h31-32,37,43H,7-30,33-34H2,1-6H3