Basic information
- CAS
67874-45-7- Standard SMILES
CC(CC(=O)OCC[S][Sn]([CH3])([S]CCOC(=O)CC(C)CC(C)(C)C)[S]CCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C- InChIKey
BABFIOGTMBXLHI-UHFFFAOYSA-K- Molecular formula
- C34H66O6S3Sn
- Average molar mass
- 785.8 g/mol
- Monoisotopic mass
- 786.304356
Names & identifiers
- Preferred name
- Hexanoic acid, 3,5,5-trimethyl-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester
- IUPAC
- 2-[methyl-bis[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Names & synonyms
Methyltintris(2-(3,5,5-trimethylhexanoyloxy)ethylmercaptide)Hexanoic acid, 3,5,5-trimethyl-, (methylstannylidyne)tris(thio-2,1-ethanediyl) esterHexanoic acid, 3,5,5-trimethyl-, 1,1',1''-((methylstannylidyne)tris(thio-2,1-ethanediyl)) esterMethyltintris[2-(3,5,5-trimethylhexanoyloxy)ethylmercaptide]Hexanoic acid, 3,5,5-trimethyl-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] esterRefChem:78735067874-45-7((Methylstannanetriyl)tris(sulfanediyl))tris(ethane-2,1-diyl) tris(3,5,5-trimethylhexanoate)DTXSID301125321(Methylstannanetriyl)tris(sulfanediylethane-2,1-diyl) tris(3,5,5-trimethylhexanoate)1,1a(2),1a(2)a(2)-[(Methylstannylidyne)tris(thio-2,1-ethanediyl)] tris(3,5,5-trimethylhexanoate)
Database identifiers
- CAS
67874-45-7- PubChem CID
- 106928
- DTXSID
DTXSID301125321
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 27
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 740
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 3,5,5-trimethyl-, 1,1',1''-[(methylstannylidyne)tris(thio-2,1-ethanediyl)] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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