Compound C36H25N7Na2O9S2 structure

Compound C36H25N7Na2O9S2

disodium;7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate

CAS: 5905-22-6
Molecular Formula C36H25N7Na2O9S2
Molecular Weight 809.7 g/mol
Topological Polar Surface Area 285.0 A2
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 14
Rotatable Bonds 8
Exact Mass 809.09503
Heavy Atoms 56
Complexity 1540.0

Chemical Identifiers

CAS Number 5905-22-6
SMILES C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)C(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChIKey MOGBMBYPOADVPS-UHFFFAOYSA-L

📖 Product Overview

Compound C36H25N7Na2O9S2 (CAS: 5905-22-6) is a chemical compound with molecular formula C36H25N7Na2O9S2 and molecular weight 809.7 g/mol. Its IUPAC systematic name is disodium;7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonate. Topological Polar Surface Area 285.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 14 Rotatable Bonds 8 Exact Mass 809.09503 Heavy Atoms 56 Complexity 1540.0 InChI Key: MOGBMBYPOADVPS-UHFFFAOYSA-L. SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N)C(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC=C(C=C5)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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