2,2'-(2,2-Dibutyl-7,7-dimethyl-4,10-dioxo-1,3,6,8,2-dioxadithiastannecane-5,9-diyl)diacetic acid
Basic information
- CAS
6539-79-3- Standard SMILES
CCC[CH2][Sn]1([CH2]CCC)[O]C(=O)C(CC(=O)O)SC(C)(C)SC(CC(=O)O)C(=O)[O]1- InChIKey
MAJWQKMRGDDKDX-UHFFFAOYSA-L- Molecular formula
- C19H32O8S2Sn
- Average molar mass
- 571.3 g/mol
- Monoisotopic mass
- 572.056063
Names & identifiers
- Preferred name
- 2,2'-(2,2-Dibutyl-7,7-dimethyl-4,10-dioxo-1,3,6,8,2-dioxadithiastannecane-5,9-diyl)diacetic acid
- IUPAC
- 2-[2,2-dibutyl-9-(carboxymethyl)-7,7-dimethyl-4,10-dioxo-1,3,6,8,2-dioxadithiastannecan-5-yl]acetic acid
Names & synonyms
6539-79-3DTXSID408224852,2'-(2,2-Dibutyl-7,7-dimethyl-4,10-dioxo-1,3,6,8,2-dioxadithiastannecane-5,9-diyl)diacetic acid
Database identifiers
- CAS
6539-79-3- PubChem CID
- 71401397
- DTXSID
DTXSID40822485
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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