8050-30-4 Purity
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Specification
The molecular formula is C30H42O2.
The molecular weight is 434.7 g/mol.
The IUPAC name is 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one.
The InChI is InChI=1S/C30H42O2/c1-27(2,3)21-15-19(16-22(25(21)31)28(4,5)6)13-14-20-17-23(29(7,8)9)26(32)24(18-20)30(10,11)12/h13-18H,1-12H3.
The InChIKey is VEDXDZRQOYXKTL-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C.
The CAS number is 809-73-4.
The UNII is EY2R1QJU09.
The XLogP3-AA value is 8.6.
The Monoisotopic Mass is 434.318480578 g/mol.