CAS
93858-84-5 Purity
96%
93858-84-5 Purity
96%
![Octaammonium octahydrogen[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate](https://resource.alfa-chemistry.com/structure/93858-90-3.gif)
![Decaammonium[2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate](https://resource.alfa-chemistry.com/structure/93858-92-5.gif)
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Isooctyl hydrogen 2-butenedioate
CAS
93858-88-9
Catalog Number
ACM93858889
Category
Other Products
Molecular Weight
228.284800 [g/mol]
Molecular Formula
C12H20O4
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Specification
Synonyms
Monoisooctyl maleate, Isooctyl hydrogen 2-butenedioate, EINECS 299-322-4, CID6436593, 93858-88-9
IUPAC Name
(E)-4-(6-methylheptoxy)-4-oxobut-2-enoic acid
Canonical SMILES
CC(C)CCCCCOC(=O)C=CC(=O)O
InChI Key
FDNBQVCBHKEDOJ-BQYQJAHWSA-N
EC Number
299-322-4
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Isooctyl hydrogen 2-butenedioate?
The molecular formula is C12H20O4.
What are the synonyms for Isooctyl hydrogen 2-butenedioate?
The synonyms for Isooctyl hydrogen 2-butenedioate are EINECS 299-322-4 and 93858-88-9.
What is the molecular weight of Isooctyl hydrogen 2-butenedioate?
The molecular weight is 228.28 g/mol.
What is the IUPAC name of Isooctyl hydrogen 2-butenedioate?
The IUPAC name is (E)-4-(6-methylheptoxy)-4-oxobut-2-enoic acid.
What is the InChI of Isooctyl hydrogen 2-butenedioate?
The InChI is InChI=1S/C12H20O4/c1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7+.
What is the InChIKey of Isooctyl hydrogen 2-butenedioate?
The InChIKey is FDNBQVCBHKEDOJ-BQYQJAHWSA-N.
What is the canonical SMILES of Isooctyl hydrogen 2-butenedioate?
The canonical SMILES is CC(C)CCCCCOC(=O)C=CC(=O)O.
What is the isomeric SMILES of Isooctyl hydrogen 2-butenedioate?
The isomeric SMILES is CC(C)CCCCCOC(=O)/C=C/C(=O)O.
What is the CAS number of Isooctyl hydrogen 2-butenedioate?
The CAS number is 93858-88-9.
Is Isooctyl hydrogen 2-butenedioate a canonicalized compound?
Yes, Isooctyl hydrogen 2-butenedioate is a canonicalized compound.
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