Basic information
- CAS
39701-33-2- Standard SMILES
CCN(CC)c1ccc2c(-c3ccccc3C(=O)OC)c3ccc(=[N+](CC)CC)cc-3oc2c1.COS(=O)(=O)[O-]- InChIKey
MOVYXPWEFBTHDN-UHFFFAOYSA-M- Molecular formula
- C30H36N2O7S
- Average molar mass
- 568.7 g/mol
- Monoisotopic mass
- 568.22432267
Names & identifiers
- Preferred name
- Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, methyl sulfate (1:1)
- IUPAC
- [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;methyl sulfate
Names & synonyms
39701-33-2Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, methyl sulfateDTXSID30885781Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, methyl sulfate (1:1)Xanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, methyl sulfateXanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, methyl sulfate (1:1)RefChem:195200DTXCID701025143MOVYXPWEFBTHDN-UHFFFAOYSA-M3,6-Bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthen-10-ium methyl sulfate
Database identifiers
- CAS
39701-33-2- PubChem CID
- 65210
- DTXSID
DTXSID30885781
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 917
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationXanthylium, 3,6-bis(diethylamino)-9-[2-(methoxycarbonyl)phenyl]-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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