Basic information
- CAS
67939-28-0- Standard SMILES
CCC[CH2][Sn]([S]CCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)([S]CCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)[S]CCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C- InChIKey
GLOXHSFJTWIUDW-UHFFFAOYSA-E- Molecular formula
- C58H84O12S3Sn
- Average molar mass
- 1,188.2 g/mol
- Monoisotopic mass
- 1,188.414694
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) 2,2',2''-triisooctyl ester
- IUPAC
- 2-O-[2-[butyl-bis[2-[2-(6-methylheptoxycarbonyl)benzoyl]oxyethylsulfanyl]stannyl]sulfanylethyl] 1-O-(6-methylheptyl) benzene-1,2-dicarboxylate
- English name
- (butylstannylidyne)tris(thioethylene) triisooctyl triphthalate
- Molecular formula
- C58H78O12S3Sn-6
- Molecular weight
- 1182.13772
Names & synonyms
EINECS 267-831-067939-28-01,2-Benzenedicarboxylic acid, (butylstannylidyne)tris(thio-2,1-ethanediyl) triisooctyl ester1,2-Benzenedicarboxylic acid, 1,1',1''-((butylstannylidyne)tris(thio-2,1-ethanediyl)) 2,2',2''-triisooctyl ester1,2-Benzenedicarboxylic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] 2,2',2''-triisooctyl esterRefChem:71611(Butylstannylidyne)tris(thioethylene) triisooctyl triphthalate
Database identifiers
- CAS
67939-28-0- PubChem CID
- 172014
- EC Number
- 267-831-0
Properties
Computed structural properties
- Topological polar surface area
- 234 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 45
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,420
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboxylic acid, (butylstannylidyne)tris(thio-2,1-ethanediyl) triisooctyl ester (67939-28-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1,1',1''-[(butylstannylidyne)tris(thio-2,1-ethanediyl)] 2,2',2''-triisooctyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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