TO4

propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate

Created:	2020-03-25
Last modified:	2024-09-27

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1 entries where TO4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	1
Bond Count	48
Aromatic Bond Count	0

2D diagram of TO4

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Chemical Component Summary
Name	propan-2-yl (R)-dodec-11-en-1-ylphosphonofluoridate
Synonyms	11-dodecenyl-phosphonofluoridic acid 1-methylethyl ester
Systematic Name (OpenEye OEToolkits)	12-[fluoranyl(propan-2-yloxy)phosphoryl]dodec-1-ene
Formula	C₁₅ H₃₀ F O₂ P
Molecular Weight	292.37
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	P(CCCCCCCCCC[C@H]=C)(F)(=O)OC(C)C
SMILES	CACTVS	3.385	CC(C)O[P](F)(=O)CCCCCCCCCCC=C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)OP(=O)(CCCCCCCCCCC=C)F
Canonical SMILES	CACTVS	3.385	CC(C)O[P@](F)(=O)CCCCCCCCCCC=C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)O[P@](=O)(CCCCCCCCCCC=C)F
InChI	InChI	1.03	InChI=1S/C15H30FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-19(16,17)18-15(2)3/h4,15H,1,5-14H2,2-3H3/t19-/m1/s1
InChIKey	InChI	1.03	HAGAHLUSUUTRJV-LJQANCHMSA-N

Related Resource References

Resource Name	Reference
PubChem	124523540

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