1,5-bis[2-(4-chloranylphenoxy)ethanoyloxy]pentan-3-ylazanium; methanesulfonate

Systemtic Name: 1,5-bis[2-(4-chloranylphenoxy)ethanoyloxy]pentan-3-ylazanium; methanesulfonate Openeye Name: [3-[2-(4-chlorophenoxy)acetyl]oxy-1-[2-[2-(4-chlorophenoxy)acetyl]oxyethyl]propyl]ammonium; methanesulfonate CAS Name: 1,5-bis[2-(4-chlorophenoxy)-1-oxoethoxy]pentan-3-ylammonium; methanesulfonate IUPAC Name: 1,5-bis[[2-(4-chlorophenoxy)acetyl]oxy]pentan-3-ylazanium; methanesulfonate Traditional Name: [3-[2-(4-chlorophenoxy)acetyl]oxy-1-[2-[2-(4-chlorophenoxy)acetyl]oxyethyl]propyl]ammonium mesylate Formula: C22H27Cl2NO9S MolecularWeight: 552.42208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1OCC(=O)OCCC(CCOC(=O)COC2=CC=C(C=C2)Cl)[NH3+])Cl

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1OCC(=O)OCCC(CCOC(=O)COC2=CC=C(C=C2)Cl)[NH3+])Cl

InChI

InChI=1S/C21H23Cl2NO6.CH4O3S/c22-15-1-5-18(6-2-15)29-13-20(25)27-11-9-17(24)10-12-28-21(26)14-30-19-7-3-16(23)4-8-19;1-5(2,3)4/h1-8,17H,9-14,24H2;1H3,(H,2,3,4)