AG003IC7

809-73-4 | 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone

AG003IC7

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CAS Number	809-73-4
Catalog Number	AG003IC7(AGN-PC-0UIEW7)
Chemical Name	3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone
IUPAC Name	2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
InChI	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
InChI Key	VEDXDZRQOYXKTL-UHFFFAOYSA-N
MDL Number	MFCD00060073
Molecular Formula	C30H42O2
Molecular Weight	434.6533
SMILES	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
UNII	EY2R1QJU09
Synonyms	3,3',5,5'-tetrabis(tert-butyl)stilbenequinone, 3,5,3',5'-tetra-tert-butylstilbene-4,4'-quinone, 809-73-4, CCRIS 3844, UNII-EY2R1QJU09, EY2R1QJU09, 3,5,3',5',-Tetra-tert-butylstilbenequinone, 3,3',5,5'-tetra-tert-butylstilbenequinone, 3,3',5,5'-Tetrabis(tert-butyl)stilbenequinone, 4,4'-(1,2-Ethanediylidene)bis(2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one), SCHEMBL15235937, CTK5E8362, VEDXDZRQOYXKTL-UHFFFAOYSA-N, DTXSID101001622, ZINC95670513, AKOS024399202, MCULE-7437222135, 3,3',5,5'-tetra-t-butylstilbenequinone, LS-188197, 3,5,3',5'-Tetra-tert-butylstilbenequinone, FT-0614010, 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenedione, 3,3',5,5'-Tetrabis(tert-butyl)stilbene quinone, 3,3',5,5'-Tetra-tert-butylstilbene 4,4'-quinone, Q27891419, 3,3,5,5-TETRA-TERT-BUTYL-4,4-STILBENEQUINONE, 2,5-Cyclohexadien-1-one, 4,4'-ethanediylidenebis*2,6-di-tert-butyl-, 2,5-Cyclohexadien-1-one, 4,4'-ethanediylidenebis[2,6-di-tert-butyl-, 4,4'-(ethane-1,2-diylidene)bis(2,6-di-tert-butylcyclohexa-2,5-dienone), 2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethanediylidene)bis*2,6-bis(1,1-dimethylethyl)-, 2,5-Cyclohexadien-1-one, 4,4'-(1,2-ethanediylidene)bis[2,6-bis(1,1-dimethylethyl)-, 2,5-Cyclohexadien-1-one,4,4'-(1,2-ethanediylidene)bis[2,6-bis(1,1-dimethylethyl)-, 4,4'-(Ethane-1,2-diylidene)bis(2,6-di-tert-butylcyclohexa-2,5-dien-1-one), AC1L4MIU, CID188291, 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone, 3,3'5,5'-tetra-tert-butyl-4,4'-stilbenequinone, 4,4'-(Ethane-1,2-diylidene)bis(2,6-di-tert-butyl-2,5-cyclohexadiene)-1-one, 2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one,

Complexity	847
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	434.318481g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	434.7g/mol
Monoisotopic Mass	434.318481g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	34.1Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number