Basic information
- CAS
86456-19-1- Standard SMILES
CCN(CC)CCNc1cccc2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12- InChIKey
CVZVASXGNOHCJR-UHFFFAOYSA-N- Molecular formula
- C26H28N2O5S
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.17189317
Names & identifiers
- Preferred name
- 9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-7-(((4-methylphenyl)sulfonyl)oxy)-
- IUPAC
- [8-[2-(diethylamino)ethylamino]-9-oxoxanthen-2-yl] 4-methylbenzenesulfonate
Names & synonyms
86456-19-19H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-7-(((4-methylphenyl)sulfonyl)oxy)-NSC355186NSC 355186NSC-3551868-{[2-(DIETHYLAMINO)ETHYL]AMINO}-9-OXO-9H-XANTHEN-2-YL 4-METHYLBENZENE-1-SULFONATE9H-Xanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7-[[(4-methylphenyl)sulfonyl]oxy]-46TJ5VZX8QDTXSID90235566[8-(2-diethylaminoethylamino)-9-oxo-xanthen-2-yl] 4-methylbenzenesulfonate1-[[2-(Diethylamino)ethyl]amino]-7-[[(4-methylphenyl)sulfonyl]oxy]-9H-xanthen-9-one
Database identifiers
- CAS
86456-19-1- PubChem CID
- 337398
- DTXSID
DTXSID90235566- UNII
- 46TJ5VZX8Q
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 773
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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