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NCH

Summary
Name:P-NITROPHENYL-PHOSPHOCHOLINE
Formula:C11 H18 N2 O6 P
Formal charge:1
Formula weight:305.244 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[(S)-hydroxy(4-nitrophenoxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
OpenEye OEToolkits1.5.02-[hydroxy-(4-nitrophenoxy)phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-][N+](=O)c1ccc(OP(=O)(OCC[N+](C)(C)C)O)cc1
SMILES_CANONICALCACTVS3.341C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILESCACTVS3.341C[N+](C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1
InChIKeyInChI1.03NAIXASFEPQPICN-UHFFFAOYSA-O

222415

数据于2024-07-10公开中

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