hexyl 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoate

Systemtic Name: hexyl 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoate Openeye Name: hexyl 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoate CAS Name: 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoic acid hexyl ester IUPAC Name: hexyl 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoate Traditional Name: 3,5-ditert-butyl-4-(2-hydroxyphenyl)benzoic acid hexyl ester Formula: C27H38O3 MolecularWeight: 410.58882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)C2=CC=CC=C2O)C(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)C2=CC=CC=C2O)C(C)(C)C

InChI

InChI=1S/C27H38O3/c1-8-9-10-13-16-30-25(29)19-17-21(26(2,3)4)24(22(18-19)27(5,6)7)20-14-11-12-15-23(20)28/h11-12,14-15,17-18,28H,8-10,13,16H2,1-7H3