(E)-pentacos-16-ene-2,3-diol; trimethyl-(2-oxidanyl-2-phosphono-ethyl)azanium

Systemtic Name: (E)-pentacos-16-ene-2,3-diol; trimethyl-(2-oxidanyl-2-phosphono-ethyl)azanium Openeye Name: (2-hydroxy-2-phosphono-ethyl)-trimethyl-ammonium; (E)-pentacos-16-ene-2,3-diol CAS Name: (2-hydroxy-2-phosphonoethyl)-trimethylammonium; (E)-16-pentacosene-2,3-diol IUPAC Name: (2-hydroxy-2-phosphonoethyl)-trimethylazanium; (E)-pentacos-16-ene-2,3-diol Traditional Name: (2-hydroxy-2-phosphono-ethyl)-trimethyl-ammonium; (E)-pentacos-16-ene-2,3-diol Formula: C30H65NO6P+ MolecularWeight: 566.813961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCC(C(C)O)O.C[N+](C)(C)CC(O)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCC(C(C)O)O.C[N+](C)(C)CC(O)P(=O)(O)O

InChI

InChI=1S/C25H50O2.C5H14NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)24(2)26;1-6(2,3)4-5(7)11(8,9)10/h10-11,24-27H,3-9,12-23H2,1-2H3;5,7H,4H2,1-3H3,(H-,8,9,10)/p+1/b11-10+;