octyl 2-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-octadecylsulfanyl-methyl]pentaneperoxoate

Systemtic Name: octyl 2-[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)-octadecylsulfanyl-methyl]pentaneperoxoate Openeye Name: octyl 2-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-octadecylsulfanyl-methyl]pentaneperoxoate CAS Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-(octadecylthio)methyl]pentaneperoxoic acid octyl ester IUPAC Name: octyl 2-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)-octadecylsulfanylmethyl]pentaneperoxoate Traditional Name: 2-[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)-(stearylthio)methyl]peroxyvaleric acid octyl ester Formula: C44H80O4S MolecularWeight: 705.1686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(CCC)C(=O)OOCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC(C1=CC(=C(C(=C1C)C)O)C(C)(C)C)C(CCC)C(=O)OOCCCCCCCC

InChI

InChI=1S/C44H80O4S/c1-9-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-34-49-42(39-35-40(44(6,7)8)41(45)37(5)36(39)4)38(32-11-3)43(46)48-47-33-30-28-17-15-13-10-2/h35,38,42,45H,9-34H2,1-8H3