3,5-bis[2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl]benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5-bis[2-tert-butyl-6-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl]benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenyl]benzene-1,2,4-tricarboxylic acid CAS Name: 3,5-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl]benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5-bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl]benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5-bis[2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methyl-benzyl)-4-methyl-phenyl]trimellitic acid Formula: C55H66O8 MolecularWeight: 855.10774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)C2=CC(=C(C(=C2C(=O)O)C3=C(C=C(C=C3C(C)(C)C)C)CC4=C(C(=CC(=C4)C)C(C)(C)C)O)C(=O)O)C(=O)O)CC5=C(C(=CC(=C5)C)C(C)(C)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)C2=CC(=C(C(=C2C(=O)O)C3=C(C=C(C=C3C(C)(C)C)C)CC4=C(C(=CC(=C4)C)C(C)(C)C)O)C(=O)O)C(=O)O)CC5=C(C(=CC(=C5)C)C(C)(C)C)O

InChI

InChI=1S/C55H66O8/c1-28-17-32(25-34-19-30(3)23-40(47(34)56)54(11,12)13)42(38(21-28)52(5,6)7)36-27-37(49(58)59)45(51(62)63)46(44(36)50(60)61)43-33(18-29(2)22-39(43)53(8,9)10)26-35-20-31(4)24-41(48(35)57)55(14,15)16/h17-24,27,56-57H,25-26H2,1-16H3,(H,58,59)(H,60,61)(H,62,63)