Basic information
- CAS
116189-57-2- Standard SMILES
COC(=O)c1ccccc1C(=O)OC.COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl- InChIKey
DLILBKGBBLFHNW-UHFFFAOYSA-N- Molecular formula
- C32H26Cl8O7
- Average molar mass
- 806.2 g/mol
- Monoisotopic mass
- 801.918675
Names & identifiers
- Preferred name
- Antox W
- IUPAC
- dimethyl benzene-1,2-dicarboxylate;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene;2,3,4,5,6-pentachlorophenol
- English name
- Dimethyl phthalate with pentachlorophenol and 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene)
- Molecular formula
- C32H26Cl8O7
- Molecular weight
- 806.15
Names & synonyms
Antox W116189-57-2DTXSID101513101,2-Benzenedicarboxylic acid, dimethyl ester, mixt. with pentachlorophenol and 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene)RefChem:319913DTXCID2073801dimethyl benzene-1,2-dicarboxylate;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene;2,3,4,5,6-pentachlorophenolDimethyl phthalate with pentachlorophenol and 1,1/'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene)Dimethyl phthalate with pentachlorophenol and 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxybenzene)
Database identifiers
- CAS
116189-57-2- PubChem CID
- 3087752
- DTXSID
DTXSID10151310
Properties
Computed structural properties
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 629
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
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Compound notes
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