Xanthylium, 3,6-bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)-, perchlorate

[6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium perchlorate

CAS: 23857-69-4

Molecular Formula	`C30H35ClN2O7`
Molecular Weight	571.1 g/mol
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	570.21326
Heavy Atoms	40
Complexity	937.0

Chemical Identifiers

CAS Number	23857-69-4
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[O-]Cl(=O)(=O)=O`
InChIKey	`KEPZSONXOSOCGC-UHFFFAOYSA-M`

📖 Product Overview

Xanthylium, 3,6-bis(diethylamino)-9-(2-(ethoxycarbonyl)phenyl)-, perchlorate (CAS: 23857-69-4) is a chemical compound with molecular formula C30H35ClN2O7 and molecular weight 571.1 g/mol. Its IUPAC systematic name is [6-(diethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium perchlorate. Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 570.21326 Heavy Atoms 40 Complexity 937.0 InChI Key: KEPZSONXOSOCGC-UHFFFAOYSA-M. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)OCC.[O-]Cl(=O)(=O)=O.

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