[4-(4,4-dimethylpentanoyloxy)phenyl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [4-(4,4-dimethylpentanoyloxy)phenyl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [4-(4,4-dimethylpentanoyloxy)phenyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [4-(4,4-dimethyl-1-oxopentoxy)phenyl] ester IUPAC Name: [4-(4,4-dimethylpentanoyloxy)phenyl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [4-(4,4-dimethylpentanoyloxy)phenyl] ester Formula: C28H38O5 MolecularWeight: 454.59832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC(=O)OC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)CCC(=O)OC1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C28H38O5/c1-26(2,3)15-14-23(29)32-19-10-12-20(13-11-19)33-25(31)18-16-21(27(4,5)6)24(30)22(17-18)28(7,8)9/h10-13,16-17,30H,14-15H2,1-9H3