Basic information
- CAS
137626-75-6- Standard SMILES
COc1c2ccccc2c(OC)c2cc(S(=O)(=O)OCCc3ccc([N+](=O)[O-])cc3)ccc12- InChIKey
IZCXATGKPFWZQX-UHFFFAOYSA-N- Molecular formula
- C24H21NO7S
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.10387318
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)ethyl 9,10-dimethoxyanthracene-2-sulfonate
- IUPAC
- 2-(4-nitrophenyl)ethyl 9,10-dimethoxyanthracene-2-sulfonate
Names & synonyms
137626-75-62-(4-NITROPHENYL)ETHYL 9,10-DIMETHOXYANTHRACENE-2-SULFONATEDTXSID30768545
Database identifiers
- CAS
137626-75-6- PubChem CID
- 71341663
- DTXSID
DTXSID30768545
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 756
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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