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

Technical Data

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:	93.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	16