[2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] 3-tetradecylsulfanylpropanoate

Systemtic Name: [2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenyl] 3-tetradecylsulfanylpropanoate Openeye Name: [2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenyl] 3-tetradecylsulfanylpropanoate CAS Name: 3-(tetradecylthio)propanoic acid [2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenyl] ester IUPAC Name: [2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] 3-tetradecylsulfanylpropanoate Traditional Name: 3-(myristylthio)propionic acid [2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methyl-phenyl)thio]-5-methyl-phenyl] ester Formula: C39H62O3S2 MolecularWeight: 643.03778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSCCC(=O)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCSCCC(=O)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C39H62O3S2/c1-10-11-12-13-14-15-16-17-18-19-20-21-23-43-24-22-37(41)42-34-26-30(3)36(28-32(34)39(7,8)9)44-35-27-31(38(4,5)6)33(40)25-29(35)2/h25-28,40H,10-24H2,1-9H3