Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(dimethylamino)-, perchlorate (1:1)

[9-(2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium perchlorate

CAS: 62669-72-1

Molecular Formula	`C24H23ClN2O7`
Molecular Weight	486.9 g/mol
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	486.1194
Heavy Atoms	34
Complexity	853.0

Chemical Identifiers

CAS Number	62669-72-1
SMILES	`CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O`
InChIKey	`PQIPFCFHSJBFSV-UHFFFAOYSA-N`

📖 Product Overview

Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(dimethylamino)-, perchlorate (1:1) (CAS: 62669-72-1) is a chemical compound with molecular formula C24H23ClN2O7 and molecular weight 486.9 g/mol. Its IUPAC systematic name is [9-(2-carboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium perchlorate. Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 486.1194 Heavy Atoms 34 Complexity 853.0 InChI Key: PQIPFCFHSJBFSV-UHFFFAOYSA-N. SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)O.[O-]Cl(=O)(=O)=O.

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