Basic information
- CAS
7595-86-0- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2OC(c3ccccc3)OC3C2OC2OC(C)(C)OC23)cc1- InChIKey
BCJBAXJHMAKUCG-UHFFFAOYSA-N- Molecular formula
- C23H26O8S
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.13483896
Names & identifiers
- Preferred name
- Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester
- IUPAC
- (4,4-dimethyl-11-phenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl)methyl 4-methylbenzenesulfonate
Names & synonyms
7595-86-0NSC34714DTXSID90283986BCJBAXJHMAKUCG-UHFFFAOYSA-NNSC-34714Toluene-4-sulfonic acid, 2,2-dimethyl-5-phenyltetrahydro-1,3,4,6,8-pentaoxacyclopenta[a]inden-7-ylmethyl ester(2,2-Dimethyl-5-phenyltetrahydro-2H,3bH,5H-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl)methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
7595-86-0- PubChem CID
- 234580
- DTXSID
DTXSID90283986
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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