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

Systemtic Name: 2,4,6-tris[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl]benzene-1,3,5-tricarboxylic acid Openeye Name: 2,4,6-tris[(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)methyl]benzene-1,3,5-tricarboxylic acid CAS Name: 2,4,6-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]benzene-1,3,5-tricarboxylic acid IUPAC Name: 2,4,6-tris[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl]benzene-1,3,5-tricarboxylic acid Traditional Name: 2,4,6-tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl)trimesic acid Formula: C48H60O9 MolecularWeight: 780.9846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC2=C(C(=C(C(=C2C(=O)O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)C(=O)O)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C(=O)O)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC2=C(C(=C(C(=C2C(=O)O)CC3=C(C(=C(C=C3C)C(C)(C)C)O)C)C(=O)O)CC4=C(C(=C(C=C4C)C(C)(C)C)O)C)C(=O)O)C)O)C(C)(C)C

InChI

InChI=1S/C48H60O9/c1-22-16-34(46(7,8)9)40(49)25(4)28(22)19-31-37(43(52)53)32(20-29-23(2)17-35(47(10,11)12)41(50)26(29)5)39(45(56)57)33(38(31)44(54)55)21-30-24(3)18-36(48(13,14)15)42(51)27(30)6/h16-18,49-51H,19-21H2,1-15H3,(H,52,53)(H,54,55)(H,56,57)