Compound C31H36Cl2N2O7

2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium;2-(4-chlorophenoxy)-2-methylpropanoate

CAS: 54393-06-5

Molecular Formula	`C31H36Cl2N2O7`
Molecular Weight	619.5 g/mol
Topological Polar Surface Area	118.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	13
Exact Mass	618.18994
Heavy Atoms	42
Complexity	673.0

Chemical Identifiers

CAS Number	54393-06-5
SMILES	`CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl`
InChIKey	`ACHHSSUSDXOVAI-UHFFFAOYSA-N`

📖 Product Overview

Compound C31H36Cl2N2O7 (CAS: 54393-06-5) is a chemical compound with molecular formula C31H36Cl2N2O7 and molecular weight 619.5 g/mol. Its IUPAC systematic name is 2-[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]oxyethyl-diethylazanium;2-(4-chlorophenoxy)-2-methylpropanoate. Topological Polar Surface Area 118.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 13 Exact Mass 618.18994 Heavy Atoms 42 Complexity 673.0 InChI Key: ACHHSSUSDXOVAI-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl.CC(C)(C(=O)[O-])OC1=CC=C(C=C1)Cl.

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