(3,5-ditert-butyl-1-octylsulfanyl-5-octylsulfinyl-4-oxidanyl-6-propyl-cyclohex-2-en-1-yl) propanoate

Systemtic Name: (3,5-ditert-butyl-1-octylsulfanyl-5-octylsulfinyl-4-oxidanyl-6-propyl-cyclohex-2-en-1-yl) propanoate Openeye Name: (3,5-ditert-butyl-4-hydroxy-1-octylsulfanyl-5-octylsulfinyl-6-propyl-cyclohex-2-en-1-yl) propanoate CAS Name: propanoic acid [3,5-ditert-butyl-4-hydroxy-5-octylsulfinyl-1-(octylthio)-6-propyl-1-cyclohex-2-enyl] ester IUPAC Name: (3,5-ditert-butyl-4-hydroxy-1-octylsulfanyl-5-octylsulfinyl-6-propylcyclohex-2-en-1-yl) propanoate Traditional Name: propionic acid [3,5-ditert-butyl-4-hydroxy-5-octylsulfinyl-1-(octylthio)-6-propyl-cyclohex-2-en-1-yl] ester Formula: C36H68O4S2 MolecularWeight: 629.05272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(C=C(C(C(C1CCC)(C(C)(C)C)S(=O)CCCCCCCC)O)C(C)(C)C)OC(=O)CC

Isomeric SMILES

CCCCCCCCSC1(C=C(C(C(C1CCC)(C(C)(C)C)S(=O)CCCCCCCC)O)C(C)(C)C)OC(=O)CC

InChI

InChI=1S/C36H68O4S2/c1-11-15-17-19-21-23-26-41-35(40-31(37)14-4)28-29(33(5,6)7)32(38)36(34(8,9)10,30(35)25-13-3)42(39)27-24-22-20-18-16-12-2/h28,30,32,38H,11-27H2,1-10H3