octadecyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate; phenol

Systemtic Name: octadecyl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate; phenol Openeye Name: octadecyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate; phenol CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid octadecyl ester; phenol IUPAC Name: octadecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate; phenol Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid stearyl ester; phenol Formula: C41H68O4 MolecularWeight: 624.97622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1=CC=C(C=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1=CC=C(C=C1)O

InChI

InChI=1S/C35H62O3.C6H6O/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7;7-6-4-2-1-3-5-6/h27-28,37H,8-26H2,1-7H3;1-5,7H