5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6-[(4-butoxy-1,4-dioxo-2-butenyl)oxy]-6-butyl-4,8,11-trioxo-, butyl ester, (Z,Z,Z)-
Basic information
- CAS
66899-69-2- Standard SMILES
CCCCOC(=O)/C=C\C(=O)[O][Sn]([CH2]CCC)([O]C(=O)/C=C\C(=O)OCCCC)[O]C(=O)/C=C\C(=O)OCCCC- InChIKey
SODVYJMZIGWPTB-BSWAEIBTSA-K- Molecular formula
- C28H42O12Sn
- Average molar mass
- 689.3 g/mol
- Monoisotopic mass
- 690.169829
Names & identifiers
- Preferred name
- 5,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6-[(4-butoxy-1,4-dioxo-2-butenyl)oxy]-6-butyl-4,8,11-trioxo-, butyl ester, (Z,Z,Z)-
- IUPAC
- 4-O-[bis[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy]-butylstannyl] 1-O-butyl (Z)-but-2-enedioate
Names & synonyms
DTXSID8011022495,7,12-Trioxa-6-stannahexadeca-2,9-dienoic acid, 6-[(4-butoxy-1,4-dioxo-2-butenyl)oxy]-6-butyl-4,8,11-trioxo-, butyl ester, (Z,Z,Z)-
Database identifiers
- CAS
66899-69-2- PubChem CID
- 165366709
- DTXSID
DTXSID801102249
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 27
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 826
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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