tris[3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)propyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[3-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)propyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)propyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl] ester IUPAC Name: tris[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[3-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)propyl] ester Formula: C51H66O9 MolecularWeight: 823.06434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)CCCOC(=O)C2=CC(=CC(=C2)C(=O)OCCCC3=C(C(=CC(=C3)C)C(C)(C)C)O)C(=O)OCCCC4=C(C(=CC(=C4)C)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)CCCOC(=O)C2=CC(=CC(=C2)C(=O)OCCCC3=C(C(=CC(=C3)C)C(C)(C)C)O)C(=O)OCCCC4=C(C(=CC(=C4)C)C(C)(C)C)O

InChI

InChI=1S/C51H66O9/c1-31-22-34(43(52)40(25-31)49(4,5)6)16-13-19-58-46(55)37-28-38(47(56)59-20-14-17-35-23-32(2)26-41(44(35)53)50(7,8)9)30-39(29-37)48(57)60-21-15-18-36-24-33(3)27-42(45(36)54)51(10,11)12/h22-30,52-54H,13-21H2,1-12H3