1,3-bis(oxidanyl)henicosan-4-one; ethyl-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: 1,3-bis(oxidanyl)henicosan-4-one; ethyl-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: 1,3-dihydroxyhenicosan-4-one; ethyl-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium CAS Name: 1,3-dihydroxy-4-heneicosanone; ethyl-(3-hydroxy-3-phosphonooxypropyl)-dimethylammonium IUPAC Name: 1,3-dihydroxyhenicosan-4-one; ethyl-(3-hydroxy-3-phosphonooxypropyl)-dimethylazanium Traditional Name: 1,3-dihydroxyheneicosan-4-one; ethyl-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium Formula: C28H61NO8P+ MolecularWeight: 570.759601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCO)O.CC[N+](C)(C)CCC(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCO)O.CC[N+](C)(C)CCC(O)OP(=O)(O)O

InChI

InChI=1S/C21H42O3.C7H18NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21(24)18-19-22;1-4-8(2,3)6-5-7(9)13-14(10,11)12/h21-22,24H,2-19H2,1H3;7,9H,4-6H2,1-3H3,(H-,10,11,12)/p+1