dipotassium4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate

dipotassium;4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate

CAS: 78506-80-6

Molecular Formula	`C25H12K2N4O11`
Molecular Weight	622.6 g/mol
Topological Polar Surface Area	230.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	11
Rotatable Bonds	3
Exact Mass	621.97766
Heavy Atoms	42
Complexity	1050.0

Chemical Identifiers

CAS Number	78506-80-6
SMILES	`C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-].[K+].[K+]`
InChIKey	`YZSMLVDTTQOPKP-UHFFFAOYSA-L`

📖 Product Overview

dipotassium4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate (CAS: 78506-80-6) is a chemical compound with molecular formula C25H12K2N4O11 and molecular weight 622.6 g/mol. Its IUPAC systematic name is dipotassium;4-[5-benzylidene-3-(4-carboxylato-3-nitrophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]-2-nitrobenzoate. Topological Polar Surface Area 230.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 11 Rotatable Bonds 3 Exact Mass 621.97766 Heavy Atoms 42 Complexity 1050.0 InChI Key: YZSMLVDTTQOPKP-UHFFFAOYSA-L. SMILES: C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)C(=O)[O-])[N+](=O)[O-])C4=CC(=C(C=C4)C(=O)[O-])[N+](=O)[O-].[K+].[K+].

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