tris[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)hexyl] benzene-1,2,4-tricarboxylate

Systemtic Name: tris[6-(3,5-ditert-butyl-4-oxidanyl-phenyl)hexyl] benzene-1,2,4-tricarboxylate Openeye Name: tris[6-(3,5-ditert-butyl-4-hydroxy-phenyl)hexyl] benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris[6-(3,5-ditert-butyl-4-hydroxyphenyl)hexyl] ester IUPAC Name: tris[6-(3,5-ditert-butyl-4-hydroxyphenyl)hexyl] benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris[6-(3,5-ditert-butyl-4-hydroxy-phenyl)hexyl] ester Formula: C69H102O9 MolecularWeight: 1075.54278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCCCOC(=O)C2=CC(=C(C=C2)C(=O)OCCCCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCCCCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCCCOC(=O)C2=CC(=C(C=C2)C(=O)OCCCCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCCCCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C69H102O9/c1-64(2,3)52-39-46(40-53(58(52)70)65(4,5)6)31-25-19-22-28-36-76-61(73)49-34-35-50(62(74)77-37-29-23-20-26-32-47-41-54(66(7,8)9)59(71)55(42-47)67(10,11)12)51(45-49)63(75)78-38-30-24-21-27-33-48-43-56(68(13,14)15)60(72)57(44-48)69(16,17)18/h34-35,39-45,70-72H,19-33,36-38H2,1-18H3