Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, compd. with piperazine (1:1)
Basic information
- CAS
58357-73-6- Standard SMILES
C1CNCCN1.CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccc(OC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(S(=O)(=O)O)c1- InChIKey
XFVVUCMEYODHSM-UHFFFAOYSA-N- Molecular formula
- C30H34Cl2N2O9S
- Average molar mass
- 669.6 g/mol
- Monoisotopic mass
- 668.1362072
Names & identifiers
- Preferred name
- Propionic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, compd. with piperazine (1:1)
- IUPAC
- 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonic acid;piperazine
Names & synonyms
58357-73-6DTXSID30207080RefChem:375144DTXCID301295712,5-Bis{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}benzene-1-sulfonic acid--piperazine (1/1)
Database identifiers
- CAS
58357-73-6- PubChem CID
- 3045215
- DTXSID
DTXSID30207080
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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