CID 16684096

Ethyl (z,z,z)-9-((4-ethoxy-1,4-dioxobut-2-enyl)oxy)-9-octyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

Structural Information

Molecular Formula
C26H38O12Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C)(OC(=O)/C=C\C(=O)OCC)OC(=O)/C=C\C(=O)OCC(=O)OCC
InChI
InChI=1S/C8H10O6.C8H17.C6H8O4.C4H6O2.Sn/c1-2-13-8(12)5-14-7(11)4-3-6(9)10;1-3-5-7-8-6-4-2;1-2-10-6(9)4-3-5(7)8;1-2-3-4(5)6;/h3-4H,2,5H2,1H3,(H,9,10);1,3-8H2,2H3;3-4H,2H2,1H3,(H,7,8);2-3H,1H3,(H,5,6);/q;;;;+3/p-3/b4-3-;;4-3-;3-2-;
InChIKey
GWCUIPIVGBKQMY-JUJCZXNKSA-K
Compound name
4-O-[[(Z)-but-2-enoyl]oxy-[(Z)-4-(2-ethoxy-2-oxoethoxy)-4-oxobut-2-enoyl]oxy-octylstannyl] 1-O-ethyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.13855 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.14583 233.0
[M+Na]+ 685.12777 235.0
[M+NH4]+ 680.17237 241.5
[M+K]+ 701.10171 235.3
[M-H]- 661.13127 233.6
[M+Na-2H]- 683.11322 238.6
[M]+ 662.13800 234.5
[M]- 662.13910 234.5
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.