Cyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate
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Basic information
- CAS
84245-07-8- Standard SMILES
CCN(CC)CCCOC(=O)C1(Sc2ccccc2)CCCC1.O=C(O)C(=O)O- InChIKey
OOPINVYIRKYIBG-UHFFFAOYSA-N- Molecular formula
- C21H31NO6S
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.18720888
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioate
- IUPAC
- 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate;oxalic acid
- English name
- Cyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl e ster, ethanedioate
- Molecular weight
- 0
Names & synonyms
84245-07-81-(Phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester oxalateCyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl ester, ethanedioateDTXSID00233159RefChem:335938DTXCID50155650Oxalic acid--3-(diethylamino)propyl 1-(phenylsulfanyl)cyclopentane-1-carboxylate (1/1)Cyclopentanecarboxylic acid, 1-(phenylthio)-, 3-(diethylamino)propyl e ster, ethanedioate
Database identifiers
- CAS
84245-07-8- PubChem CID
- 3069014
- DTXSID
DTXSID00233159
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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