Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride

[6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride

CAS: 39393-39-0

Molecular Formula	`C29H33ClN2O3`
Molecular Weight	493.0 g/mol
Topological Polar Surface Area	41.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	492.21796
Heavy Atoms	35
Complexity	826.0

Chemical Identifiers

CAS Number	39393-39-0
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.[Cl-]`
InChIKey	`WODAOEIFNMQKIS-UHFFFAOYSA-M`

📖 Product Overview

Xanthylium, 3,6-bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)-, chloride (CAS: 39393-39-0) is a chemical compound with molecular formula C29H33ClN2O3 and molecular weight 493.0 g/mol. Its IUPAC systematic name is [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium chloride. Topological Polar Surface Area 41.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 492.21796 Heavy Atoms 35 Complexity 826.0 InChI Key: WODAOEIFNMQKIS-UHFFFAOYSA-M. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OC.[Cl-].

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