CID 165366656

5,7,12-trioxa-6-stannahexadeca-2,9-dienoic acid, 6-[(4-butoxy-1,4-dioxo-2-butenyl)oxy]-6-dodecyl-4,8,11-trioxo-, butyl ester, (z,z,z)-

Structural Information

Molecular Formula
C36H58O12Sn
SMILES
CCCCCCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCCCC)(OC(=O)/C=C\C(=O)OCCCC)OC(=O)/C=C\C(=O)OCCCC
InChI
InChI=1S/C12H25.3C8H12O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-3-6-12-8(11)5-4-7(9)10;/h1,3-12H2,2H3;3*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;;+3/p-3/b;3*5-4-;
InChIKey
LKMVGFXFBSAZDT-MCTJRNESSA-K
Compound name
4-O-[bis[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy]-dodecylstannyl] 1-O-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.29504 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.30232 268.9
[M+Na]+ 825.28426 269.9
[M+NH4]+ 820.32886 277.2
[M+K]+ 841.25820 271.9
[M-H]- 801.28776 266.3
[M+Na-2H]- 823.26971 271.1
[M]+ 802.29449 269.7
[M]- 802.29559 269.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.