Biomist
Basic information
- CAS
60018-95-3- Standard SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1.CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2- InChIKey
CNECVMMQICDCMQ-UHFFFAOYSA-N- Molecular formula
- C40H50Cl2O8
- Average molar mass
- 729.7 g/mol
- Monoisotopic mass
- 728.2882739
Names & identifiers
- Preferred name
- Biomist
- IUPAC
- 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
60018-95-3BiomistSCHEMBL30080207DTXSID00975446(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate--5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole (1/1)(3-Phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate--5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-2H-1,3-benzodioxole (1/1)
Database identifiers
- CAS
60018-95-3- PubChem CID
- 181256
- DTXSID
DTXSID00975446
Properties
Computed structural properties
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 833
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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