Compound C48H44CrN6O8S

[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chromium(2+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate

CAS: 71566-33-1

Molecular Formula	`C48H44CrN6O8S`
Molecular Weight	917.0 g/mol
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	916.2346
Heavy Atoms	64
Complexity	1520.0

Chemical Identifiers

CAS Number	71566-33-1
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+2]`
InChIKey	`MEKOKUXFEUYCAD-UHFFFAOYSA-L`

📖 Product Overview

Compound C48H44CrN6O8S (CAS: 71566-33-1) is a chemical compound with molecular formula C48H44CrN6O8S and molecular weight 917.0 g/mol. Its IUPAC systematic name is [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chromium(2+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate. Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 916.2346 Heavy Atoms 64 Complexity 1520.0 InChI Key: MEKOKUXFEUYCAD-UHFFFAOYSA-L. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+2].

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