Compound C26H25ClIN3O4

[9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethylazanium chloride

CAS: 81235-33-8

Molecular Formula	`C26H25ClIN3O4`
Molecular Weight	605.8 g/mol
Topological Polar Surface Area	81.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	605.0578
Heavy Atoms	35
Complexity	963.0

Chemical Identifiers

CAS Number	81235-33-8
SMILES	`CN(C)C1=CC(=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)O)NC(=O)CI.[Cl-]`
InChIKey	`CSFWHPXNORHQTJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H25ClIN3O4 (CAS: 81235-33-8) is a chemical compound with molecular formula C26H25ClIN3O4 and molecular weight 605.8 g/mol. Its IUPAC systematic name is [9-(2-carboxyphenyl)-6-(dimethylamino)-8-[(2-iodoacetyl)amino]xanthen-3-ylidene]-dimethylazanium chloride. Topological Polar Surface Area 81.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 605.0578 Heavy Atoms 35 Complexity 963.0 InChI Key: CSFWHPXNORHQTJ-UHFFFAOYSA-N. SMILES: CN(C)C1=CC(=C2C(=C1)OC3=CC(=[N+](C)C)C=CC3=C2C4=CC=CC=C4C(=O)O)NC(=O)CI.[Cl-].

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