2-[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yloxycarbonyl]benzoic acid

Systemtic Name: 2-[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yloxycarbonyl]benzoic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propoxy]carbonylbenzoic acid CAS Name: 2-[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yloxy-oxomethyl]benzoic acid IUPAC Name: 2-[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yloxycarbonyl]benzoic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propoxy]carbonylbenzoic acid Formula: C41H56O6 MolecularWeight: 644.87974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C41H56O6/c1-38(2,3)30-21-25(22-31(34(30)42)39(4,5)6)17-19-27(47-37(46)29-16-14-13-15-28(29)36(44)45)20-18-26-23-32(40(7,8)9)35(43)33(24-26)41(10,11)12/h13-16,21-24,27,42-43H,17-20H2,1-12H3,(H,44,45)