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Structure

3,3',5,5'-TETRA-TERT-BUTYL-4,4'-STILBENEQUINONE

CAS
809-73-4
Catalog Number
ACM809734
Category
Main Products
Molecular Weight
434.7g/mol
Molecular Formula
C30H42O2

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Specification

Synonyms
4,4'-(Ethane-1,2-diylidene)bis(2,6-di-tert-butyl-2,5-cyclohexadiene)-1-one
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
Canonical 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
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
Appearance
Dark Red Solid
Complexity
847
Covalently-Bonded Unit Count
1
Exact Mass
434.318481g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
32
Monoisotopic Mass
434.318481g/mol
Rotatable Bond Count
5
UNII
EY2R1QJU09
XLogP3
8.6
What is the molecular formula of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The molecular formula is C30H42O2.

What is the molecular weight of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The molecular weight is 434.7 g/mol.

What is the IUPAC name of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

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.

What is the InChI of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

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.

What is the InChIKey of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The InChIKey is VEDXDZRQOYXKTL-UHFFFAOYSA-N.

What is the Canonical SMILES of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

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.

What is the CAS number of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The CAS number is 809-73-4.

What is the UNII of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The UNII is EY2R1QJU09.

What is the XLogP3-AA value of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The XLogP3-AA value is 8.6.

What is the Monoisotopic Mass of 3,3',5,5'-Tetra-tert-butyl-4,4'-stilbenequinone?

The Monoisotopic Mass is 434.318480578 g/mol.

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