Compound C20H22ClNO5S

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

CAS: 82387-07-3

Molecular Formula	`C20H22ClNO5S`
Molecular Weight	423.9 g/mol
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	423.09073
Heavy Atoms	28
Complexity	432.0

Chemical Identifiers

CAS Number	82387-07-3
SMILES	`C[NH+](C)CCCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O`
InChIKey	`FMFRXLNWRGIFSX-UHFFFAOYSA-N`

📖 Product Overview

Compound C20H22ClNO5S (CAS: 82387-07-3) is a chemical compound with molecular formula C20H22ClNO5S and molecular weight 423.9 g/mol. Its IUPAC systematic name is 3-(8-chloro-6H-benzo[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 423.09073 Heavy Atoms 28 Complexity 432.0 InChI Key: FMFRXLNWRGIFSX-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCC1C2=C(C=CC(=C2)Cl)OC3=CC=CC=C3S1.C(=O)(C(=O)[O-])O.

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