azanium 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonate

CAS: 56968-76-4

Molecular Formula	`C7H9NO5S`
Molecular Weight	219.22 g/mol
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	0
Exact Mass	219.02014
Heavy Atoms	14
Complexity	405.0

Chemical Identifiers

CAS Number	56968-76-4
SMILES	`C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])O.[NH4+]`
InChIKey	`MAAVRKRPVOQSCB-UHFFFAOYSA-N`

📖 Product Overview

azanium 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonate (CAS: 56968-76-4) is a chemical compound with molecular formula C7H9NO5S and molecular weight 219.22 g/mol. Its IUPAC systematic name is azanium 4-hydroxy-5-oxocyclohepta-1,3,6-triene-1-sulfonate. Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 0 Exact Mass 219.02014 Heavy Atoms 14 Complexity 405.0 InChI Key: MAAVRKRPVOQSCB-UHFFFAOYSA-N. SMILES: C1=CC(=O)C(=CC=C1S(=O)(=O)[O-])O.[NH4+].

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