Basic information
- CAS
84594-48-9- Standard SMILES
O=C1CCOc2cccc(c2)OCCC(=O)OCCCOC(=O)CCOc2cccc(c2)OCCC(=O)OCCCO1- InChIKey
PJZSPXNIGRCAQF-UHFFFAOYSA-N- Molecular formula
- C30H36O12
- Average molar mass
- 588.6 g/mol
- Monoisotopic mass
- 588.22067658
Names & identifiers
- Preferred name
- 2,6,10,14,20,24,28,32-Octaoxatricyclo[31.3.1.1~15,19~]octatriaconta-1(37),15(38),16,18,33,35-hexaene-5,11,23,29-tetrone
- IUPAC
- 2,6,10,14,20,24,28,32-octaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaene-5,11,23,29-tetrone
Names & synonyms
84594-48-9NSC361677DTXSID10320589NSC-3616772,6,10,14,20,24,28,32-Octaoxatricyclo[31.3.1.1~15,19~]octatriaconta-1(37),15(38),16,18,33,35-hexaene-5,11,23,29-tetrone2,6,10,14,16,20,24,28-Octaoxa-1,15(1,3)-dibenzenacyclooctacosaphane-5,11,19,25-tetrone
Database identifiers
- CAS
84594-48-9- PubChem CID
- 338573
- DTXSID
DTXSID10320589
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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