Bis(2-(tert-butyl)-6-(3-(tert-butyl)-2-hydroxy-5-methylbenzyl)-4-methylphenyl) Terephthalate - CAS 57569-40-1
Catalog: |
BB072603 |
Product Name: |
Bis(2-(tert-butyl)-6-(3-(tert-butyl)-2-hydroxy-5-methylbenzyl)-4-methylphenyl) Terephthalate |
CAS: |
57569-40-1 |
Synonyms: |
1,4-Benzenedicarboxylic acid, bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] ester; bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate; 1,4-Benzenedicarboxylic acid, bis(2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl) ester; Bis(2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl) terephthalate |
IUPAC Name: | bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate |
Molecular Weight: | 811.1 |
Molecular Formula: | C54H66O6 |
Canonical SMILES: | CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)C(C)(C)C)O |
InChI: | InChI=1S/C54H66O6/c1-31-21-37(45(55)41(25-31)51(5,6)7)29-39-23-33(3)27-43(53(11,12)13)47(39)59-49(57)35-17-19-36(20-18-35)50(58)60-48-40(24-34(4)28-44(48)54(14,15)16)30-38-22-32(2)26-42(46(38)56)52(8,9)10/h17-28,55-56H,29-30H2,1-16H3 |
InChI Key: | JWXSMZJIYUUXSV-UHFFFAOYSA-N |
Complexity: | 1290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 810.48593982 |
Formal Charge: | 0 |
Heavy Atom Count: | 60 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 810.48593982 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 93.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 16 |
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