[1,4-Dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate

[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium;4-methylbenzenesulfonate

Also Known As: 4-Naphthalen-1-yl-morpholine|Dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate|dl-aspartic acid dibenzyl ester-p-toluenesulfonate|D,L-Aspartic acid dibenzyl ester-p-toluenesulfonate|IUPAC: 1,2-bis(phenylmethoxycarbonyl)ethylazanium; 4-methylbenzenesulfonate|[1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]azanium; 4-methylbenzenesulfonate

Molecular Formula	C25H27NO7S
Molecular Weight	485.15082 g/mol
LogP	2.37292
Topological Polar Surface Area	137.44 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	485.15082
Monoisotopic Mass	485.15082
Heavy Atoms	34
Complexity	1148.8882

Chemical Identifiers

CAS Number	4079-62-3
SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)[NH3+]