[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazaniummethyl sulfate

[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;methyl sulfate

CAS: 39701-33-2

Molecular Formula	`C30H36N2O7S`
Molecular Weight	568.7 g/mol
Topological Polar Surface Area	117.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	568.2243
Heavy Atoms	40
Complexity	917.0

Chemical Identifiers

CAS Number	39701-33-2
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.COS(=O)(=O)[O-]`
InChIKey	`MOVYXPWEFBTHDN-UHFFFAOYSA-M`

📖 Product Overview

[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazaniummethyl sulfate (CAS: 39701-33-2) is a chemical compound with molecular formula C30H36N2O7S and molecular weight 568.7 g/mol. Its IUPAC systematic name is [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium;methyl sulfate. Topological Polar Surface Area 117.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 568.2243 Heavy Atoms 40 Complexity 917.0 InChI Key: MOVYXPWEFBTHDN-UHFFFAOYSA-M. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.COS(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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