2-methyl-4,6-bis(octadecylsulfanylmethyl)phenol

Systemtic Name: 2-methyl-4,6-bis(octadecylsulfanylmethyl)phenol Openeye Name: 2-methyl-4,6-bis(octadecylsulfanylmethyl)phenol CAS Name: 2-methyl-4,6-bis[(octadecylthio)methyl]phenol IUPAC Name: 2-methyl-4,6-bis(octadecylsulfanylmethyl)phenol Traditional Name: 2-methyl-4,6-bis[(stearylthio)methyl]phenol Formula: C45H84OS2 MolecularWeight: 705.27786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC1=CC(=C(C(=C1)CSCCCCCCCCCCCCCCCCCC)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC1=CC(=C(C(=C1)CSCCCCCCCCCCCCCCCCCC)O)C

InChI

InChI=1S/C45H84OS2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-47-40-43-38-42(3)45(46)44(39-43)41-48-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h38-39,46H,4-37,40-41H2,1-3H3