Basic information
- CAS
32305-36-5- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)OCCCN2CCCCC2)c1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
JKSJJUXXBFIQKJ-UHFFFAOYSA-N- Molecular formula
- C27H39NO6S
- Average molar mass
- 505.7 g/mol
- Monoisotopic mass
- 505.24980914
Names & identifiers
- Preferred name
- Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonate
- IUPAC
- 4-methylbenzenesulfonic acid;3-piperidin-1-ylpropyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Names & synonyms
T 243232305-36-5Acetic acid, (thymyloxy)-, 3-piperidinopropyl ester, p-toluenesulfonateRefChem:316363DTXSID10954101JKSJJUXXBFIQKJ-UHFFFAOYSA-N4-Methylbenzene-1-sulfonic acid--3-(piperidin-1-yl)propyl [5-methyl-2-(propan-2-yl)phenoxy]acetate (1/1)
Database identifiers
- CAS
32305-36-5- PubChem CID
- 208484
- DTXSID
DTXSID10954101
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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