N,N-Bis(2-Chloroethyl)-4-(4-Hydroxy-4-Oxobutyl)Benzeneamine Oxide; 4-Methylbenzenesulfonic Acid
[CAS# 35915-68-5]

Identification

• Name: N,N-Bis(2-Chloroethyl)-4-(4-Hydroxy-4-Oxobutyl)Benzeneamine Oxide; 4-Methylbenzenesulfonic Acid
• Synonyms: N,N-Bis(2-Chloroethyl)-4-(4-Hydroxy-4-Oxo-Butyl)Benzeneamine Oxide; 4-Methylbenzenesulfonic Acid; N,N-Bis(2-Chloroethyl)-4-(4-Hydroxy-4-Keto-Butyl)Benzeneamine Oxide; 4-Methylbenzenesulfonic Acid; Benzenebutanoic Acid, 4-(Bis(2-Chloroethyl)Amino)-, N-Oxide, Hydrochloride 4-Methylbenzenesulfonate
• Molecular Formula: C₂₁H₂₇Cl₂NO₆S
• Molecular Weight: 492.41
• CAS Registry Number: 35915-68-5
• SMILES: C1=C([N+]([O-])(CCCl)CCCl)C=CC(=C1)CCCC(=O)O.C2=C([S](=O)(=O)O)C=CC(=C2)C
• InChI: 1S/C14H19Cl2NO3.C7H8O3S/c15-8-10-17(20,11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3,8-11H2,(H,18,19);2-5H,1H3,(H,8,9,10)
• InChIKey: SUFPBNSEAYYRFN-UHFFFAOYSA-N