(1-octadecylsulfanyl-3-octoxy-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2,2-dimethyl-propanoate

Systemtic Name: (1-octadecylsulfanyl-3-octoxy-propan-2-yl) 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)-2,2-dimethyl-propanoate Openeye Name: [1-(octadecylsulfanylmethyl)-2-octoxy-ethyl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2,2-dimethyl-propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,2-dimethylpropanoic acid [1-(octadecylthio)-3-octoxypropan-2-yl] ester IUPAC Name: (1-octadecylsulfanyl-3-octoxypropan-2-yl) 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,2-dimethylpropanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)-2,2-dimethyl-propionic acid [1-(octoxymethyl)-2-(stearylthio)ethyl] ester Formula: C45H82O4S MolecularWeight: 719.19518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCC)OC(=O)C(C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSCC(COCCCCCCCC)OC(=O)C(C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C

InChI

InChI=1S/C45H82O4S/c1-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-50-37-40(36-48-31-29-27-16-14-12-10-2)49-43(47)45(7,8)35-39-33-38(3)42(46)41(34-39)44(4,5)6/h33-34,40,46H,9-32,35-37H2,1-8H3