Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt

sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate

CAS: 65392-81-6

Molecular Formula	`C29H29N2NaO5`
Molecular Weight	508.5 g/mol
Topological Polar Surface Area	95.7 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	508.19742
Heavy Atoms	37
Complexity	925.0

Chemical Identifiers

CAS Number	65392-81-6
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+]`
InChIKey	`QSDRVNJWBDNNPE-UHFFFAOYSA-M`

📖 Product Overview

Xanthylium, 9-(2,4-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (CAS: 65392-81-6) is a chemical compound with molecular formula C29H29N2NaO5 and molecular weight 508.5 g/mol. Its IUPAC systematic name is sodium 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-dicarboxylate. Topological Polar Surface Area 95.7 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 508.19742 Heavy Atoms 37 Complexity 925.0 InChI Key: QSDRVNJWBDNNPE-UHFFFAOYSA-M. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)[O-].[Na+].

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