[9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride

CAS: 67226-84-0

Molecular Formula	`C22H27ClN2O3`
Molecular Weight	402.9 g/mol
Topological Polar Surface Area	52.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	402.17102
Heavy Atoms	28
Complexity	709.0

Chemical Identifiers

CAS Number	67226-84-0
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-]`
InChIKey	`WDVMDLIQKXADBF-UHFFFAOYSA-N`

📖 Product Overview

[9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride (CAS: 67226-84-0) is a chemical compound with molecular formula C22H27ClN2O3 and molecular weight 402.9 g/mol. Its IUPAC systematic name is [9-(2-carboxyethyl)-6-(diethylamino)xanthen-3-ylidene]-dimethylazanium chloride. Topological Polar Surface Area 52.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 402.17102 Heavy Atoms 28 Complexity 709.0 InChI Key: WDVMDLIQKXADBF-UHFFFAOYSA-N. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)CCC(=O)O.[Cl-].

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