3-[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)hexoxycarbonyl]benzoic acid

Systemtic Name: 3-[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)hexoxycarbonyl]benzoic acid Openeye Name: 3-[6-(3,5-ditert-butyl-4-hydroxy-phenyl)hexoxycarbonyl]benzoic acid CAS Name: 3-[6-(3,5-ditert-butyl-4-hydroxyphenyl)hexoxy-oxomethyl]benzoic acid IUPAC Name: 3-[6-(3,5-ditert-butyl-4-hydroxyphenyl)hexoxycarbonyl]benzoic acid Traditional Name: 3-[6-(3,5-ditert-butyl-4-hydroxy-phenyl)hexoxycarbonyl]benzoic acid Formula: C28H38O5 MolecularWeight: 454.59832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCCCOC(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCCCOC(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C28H38O5/c1-27(2,3)22-16-19(17-23(24(22)29)28(4,5)6)12-9-7-8-10-15-33-26(32)21-14-11-13-20(18-21)25(30)31/h11,13-14,16-18,29H,7-10,12,15H2,1-6H3,(H,30,31)