CAS
94158-28-8 Purity
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94158-28-8 Purity
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![3-Ethyl-5,6-dimethyl-2-[2-[[5-methyl-3-(2-methyl-3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzothiazolium](https://resource.alfa-chemistry.com/structure/94158-30-2.gif)
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(3,6,9,12,15,18,21-Heptoxanonatriacontyl)hydrogen but-2-ene-1,4-dioate
CAS
94158-39-1
Catalog Number
ACM94158391
Category
Other Products
Molecular Weight
676.918520 [g/mol]
Molecular Formula
C36H68O11
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Specification
Synonyms
EINECS 303-109-4, (3,6,9,12,15,18,21-Heptoxanonatriacontyl) hydrogen but-2-ene-1,4-dioate, 94158-39-1
IUPAC Name
(E)-4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=CC(=O)O
InChI Key
LFTOSWHCXZSBCJ-VHEBQXMUSA-N
EC Number
303-109-4
H-Bond Acceptor
11
H-Bond Donor
1
What is the molecular formula of the compound?
C36H68O11
What is the molecular weight of the compound?
676.9 g/mol
What is the IUPAC name of the compound?
(E)-4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
What is the InChIKey of the compound?
LFTOSWHCXZSBCJ-VHEBQXMUSA-N
How many hydrogen bond donor counts does the compound have?
1
What is the exact mass of the compound?
676.47616298 g/mol
How many rotatable bond counts does the compound have?
41
What is the topological polar surface area of the compound?
128 Å2
Does the compound have any defined atom stereocenter count?
0
Is the compound canonicalized?
Yes
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