CAS Registry Number®
94200-54-1
CAS Name
1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-, dihydrogen phosphate
Molecular Formula
C16H6F29O4P
Molecular Mass
844.14
Other Names and Identifiers
InChI
InChI=1S/C16H6F29O4P/c17-3(18,1-2-49-50(46,47)48)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2,(H2,46,47,48)
InChIKey
InChIKey=QIZXNATWTHMMHR-UHFFFAOYSA-N
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(CCOP(=O)(O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES
O=P(O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Other Names for this Substance
- 1-Hexadecanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluoro-, dihydrogen phosphate
