(E)-1,3-bis(oxidanyl)pentacos-16-en-4-one; dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-propyl-azanium

Systemtic Name: (E)-1,3-bis(oxidanyl)pentacos-16-en-4-one; dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-propyl-azanium Openeye Name: (E)-1,3-dihydroxypentacos-16-en-4-one; (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-propyl-ammonium CAS Name: (E)-1,3-dihydroxy-16-pentacosen-4-one; (3-hydroxy-3-phosphonooxypropyl)-dimethyl-propylammonium IUPAC Name: (E)-1,3-dihydroxypentacos-16-en-4-one; (3-hydroxy-3-phosphonooxypropyl)-dimethyl-propylazanium Traditional Name: (E)-1,3-dihydroxypentacos-16-en-4-one; (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-propyl-ammonium Formula: C33H69NO8P+ MolecularWeight: 638.876621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)C(CCO)O.CCC[N+](C)(C)CCC(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)C(CCO)O.CCC[N+](C)(C)CCC(O)OP(=O)(O)O

InChI

InChI=1S/C25H48O3.C8H20NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25(28)22-23-26;1-4-6-9(2,3)7-5-8(10)14-15(11,12)13/h9-10,25-26,28H,2-8,11-23H2,1H3;8,10H,4-7H2,1-3H3,(H-,11,12,13)/p+1/b10-9+;