Compound C17H15N3O9S structure

Compound C17H15N3O9S

2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate

CAS: 34703-83-8
Molecular Formula C17H15N3O9S
Molecular Weight 437.4 g/mol
Topological Polar Surface Area 195.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
Rotatable Bonds 5
Exact Mass 437.0529
Heavy Atoms 30
Complexity 614.0

Chemical Identifiers

CAS Number 34703-83-8
SMILES C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O
InChIKey CBRGVYYCGFZTQA-UHFFFAOYSA-N

📖 Product Overview

Compound C17H15N3O9S (CAS: 34703-83-8) is a chemical compound with molecular formula C17H15N3O9S and molecular weight 437.4 g/mol. Its IUPAC systematic name is 2-(3H-benzimidazol-1-ium-1-yl)ethyl 4-nitrobenzenesulfonate;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 195.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 437.0529 Heavy Atoms 30 Complexity 614.0 InChI Key: CBRGVYYCGFZTQA-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)NC=[N+]2CCOS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O.

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