Compound C29H35N5O11

2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate

CAS: 27471-65-4

Molecular Formula	`C29H35N5O11`
Molecular Weight	629.6 g/mol
Topological Polar Surface Area	213.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	629.23334
Heavy Atoms	45
Complexity	742.0

Chemical Identifiers

CAS Number	27471-65-4
SMILES	`CC[NH+](CC)CCN(C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`PDCBPPMYEMZWRM-UHFFFAOYSA-N`

📖 Product Overview

Compound C29H35N5O11 (CAS: 27471-65-4) is a chemical compound with molecular formula C29H35N5O11 and molecular weight 629.6 g/mol. Its IUPAC systematic name is 2-(N-[2-(4-ethoxyphenoxy)acetyl]-3-methoxyanilino)ethyl-diethylazanium;2,4,6-trinitrophenolate. Topological Polar Surface Area 213.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 11 Rotatable Bonds 12 Exact Mass 629.23334 Heavy Atoms 45 Complexity 742.0 InChI Key: PDCBPPMYEMZWRM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCN(C1=CC(=CC=C1)OC)C(=O)COC2=CC=C(C=C2)OCC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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