CAS
94964-58-6 Purity
96%
94964-58-6 Purity
96%
![(Ethylenediamine-N)(1-imino-1H-isoindol-3-amine-n2)[29h,31H-phthalocyaninato-n29,n30,n31,n32]cobalt](https://resource.alfa-chemistry.com/structure/94979-20-1.gif)
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2,3-Bis-(sulfooxy)propyl oleate
CAS
94970-42-0
Catalog Number
ACM94970420
Category
Other Products
Molecular Weight
516.666300 [g/mol]
Molecular Formula
C21H40O10S2
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Specification
Synonyms
EINECS 305-696-2, 2,3-Bis(sulphooxy)propyl oleate, CID6433044, 94970-42-0
IUPAC Name
2,3-disulfooxypropyl (Z)-octadec-9-enoate
Canonical SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O
InChI Key
NPRMOGCTZRQUFS-KTKRTIGZSA-N
Density
1.223g/cm³
EC Number
305-696-2
Exact Mass
516.20600
H-Bond Acceptor
10
H-Bond Donor
2
What is the molecular formula of 2,3-Bis-(sulfooxy)propyl oleate?
The molecular formula is C21H40O10S2.
What is the molecular weight of 2,3-Bis-(sulfooxy)propyl oleate?
The molecular weight is 516.7 g/mol.
What is the IUPAC Name of 2,3-Bis-(sulfooxy)propyl oleate?
The IUPAC Name is 2,3-disulfooxypropyl (Z)-octadec-9-enoate.
What is the InChI of 2,3-Bis-(sulfooxy)propyl oleate?
The InChI is InChI=1S/C21H40O10S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)29-18-20(31-33(26,27)28)19-30-32(23,24)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24,25)(H,26,27,28)/b10-9-.
What is the InChIKey of 2,3-Bis-(sulfooxy)propyl oleate?
The InChIKey is NPRMOGCTZRQUFS-KTKRTIGZSA-N.
What is the Canonical SMILES of 2,3-Bis-(sulfooxy)propyl oleate?
The Canonical SMILES is CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O.
What is the Isomeric SMILES of 2,3-Bis-(sulfooxy)propyl oleate?
The Isomeric SMILES is CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O.
What is the CAS number of 2,3-Bis-(sulfooxy)propyl oleate?
The CAS number is 94970-42-0.
What is the European Community (EC) Number of 2,3-Bis-(sulfooxy)propyl oleate?
The European Community (EC) Number is 305-696-2.
What is the XLogP3-AA value of 2,3-Bis-(sulfooxy)propyl oleate?
The XLogP3-AA value is 5.5.
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