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

Systemtic Name: tris[6-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)hexyl] benzene-1,2,4-tricarboxylate Openeye Name: tris[6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)hexyl] benzene-1,2,4-tricarboxylate CAS Name: benzene-1,2,4-tricarboxylic acid tris[6-(3-tert-butyl-4-hydroxy-5-methylphenyl)hexyl] ester IUPAC Name: tris[6-(3-tert-butyl-4-hydroxy-5-methylphenyl)hexyl] benzene-1,2,4-tricarboxylate Traditional Name: benzene-1,2,4-tricarboxylic acid tris[6-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)hexyl] ester Formula: C60H84O9 MolecularWeight: 949.30356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCCCCCOC(=O)C2=CC(=C(C=C2)C(=O)OCCCCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C)C(=O)OCCCCCCC4=CC(=C(C(=C4)C(C)(C)C)O)C)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCCCCCOC(=O)C2=CC(=C(C=C2)C(=O)OCCCCCCC3=CC(=C(C(=C3)C(C)(C)C)O)C)C(=O)OCCCCCCC4=CC(=C(C(=C4)C(C)(C)C)O)C)C(C)(C)C)O

InChI

InChI=1S/C60H84O9/c1-40-33-43(36-49(52(40)61)58(4,5)6)25-19-13-16-22-30-67-55(64)46-28-29-47(56(65)68-31-23-17-14-20-26-44-34-41(2)53(62)50(37-44)59(7,8)9)48(39-46)57(66)69-32-24-18-15-21-27-45-35-42(3)54(63)51(38-45)60(10,11)12/h28-29,33-39,61-63H,13-27,30-32H2,1-12H3