icosan-9-yl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: icosan-9-yl 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: 1-octyldodecyl 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid eicosan-9-yl ester IUPAC Name: icosan-9-yl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid 1-octyldodecyl ester Formula: C37H66O3 MolecularWeight: 558.91814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C37H66O3/c1-9-11-13-15-17-18-19-21-23-25-31(24-22-20-16-14-12-10-2)40-34(38)27-26-30-28-32(36(3,4)5)35(39)33(29-30)37(6,7)8/h28-29,31,39H,9-27H2,1-8H3