Compound C21H24ClNO5S

3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate

CAS: 83986-10-1

Molecular Formula	`C21H24ClNO5S`
Molecular Weight	437.9 g/mol
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	437.10638
Heavy Atoms	29
Complexity	472.0

Chemical Identifiers

CAS Number	83986-10-1
SMILES	`CC1(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1)CCC[NH+](C)C.C(=O)(C(=O)[O-])O`
InChIKey	`BJFROJDRJPMFOS-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H24ClNO5S (CAS: 83986-10-1) is a chemical compound with molecular formula C21H24ClNO5S and molecular weight 437.9 g/mol. Its IUPAC systematic name is 3-(8-chloro-6-methylbenzo[b][1,5]benzoxathiepin-6-yl)propyl-dimethylazanium;2-hydroxy-2-oxoacetate. Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 437.10638 Heavy Atoms 29 Complexity 472.0 InChI Key: BJFROJDRJPMFOS-UHFFFAOYSA-N. SMILES: CC1(C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1)CCC[NH+](C)C.C(=O)(C(=O)[O-])O.

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