[(5S)-5,6-di(hexanoyloxy)-2-oxidanyl-2-phosphono-hexyl]-trimethyl-azanium

Systemtic Name: [(5S)-5,6-di(hexanoyloxy)-2-oxidanyl-2-phosphono-hexyl]-trimethyl-azanium Openeye Name: [(5S)-5,6-di(hexanoyloxy)-2-hydroxy-2-phosphono-hexyl]-trimethyl-ammonium CAS Name: [(5S)-2-hydroxy-5,6-bis(1-oxohexoxy)-2-phosphonohexyl]-trimethylammonium IUPAC Name: [(5S)-5,6-di(hexanoyloxy)-2-hydroxy-2-phosphonohexyl]-trimethylazanium Traditional Name: [(5S)-5,6-dicaproyloxy-2-hydroxy-2-phosphono-hexyl]-trimethyl-ammonium Formula: C21H43NO8P+ MolecularWeight: 468.541781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CCC(C[N+](C)(C)C)(O)P(=O)(O)O)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC[C@H](CCC(C[N+](C)(C)C)(O)P(=O)(O)O)OC(=O)CCCCC

InChI

InChI=1S/C21H42NO8P/c1-6-8-10-12-19(23)29-16-18(30-20(24)13-11-9-7-2)14-15-21(25,31(26,27)28)17-22(3,4)5/h18,25H,6-17H2,1-5H3,(H-,26,27,28)/p+1/t18-,21?/m0/s1