dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-propyl-azanium; (E)-2-methyl-1,2-bis(oxidanyl)tetracos-15-en-3-one

Systemtic Name: dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)-propyl-azanium; (E)-2-methyl-1,2-bis(oxidanyl)tetracos-15-en-3-one Openeye Name: (E)-1,2-dihydroxy-2-methyl-tetracos-15-en-3-one; (3-hydroxy-3-phosphonooxy-propyl)-dimethyl-propyl-ammonium CAS Name: (E)-1,2-dihydroxy-2-methyl-15-tetracosen-3-one; (3-hydroxy-3-phosphonooxypropyl)-dimethyl-propylammonium IUPAC Name: (E)-1,2-dihydroxy-2-methyltetracos-15-en-3-one; (3-hydroxy-3-phosphonooxypropyl)-dimethyl-propylazanium Traditional Name: (E)-1,2-dihydroxy-2-methyl-tetracos-15-en-3-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(C)(CO)O.CCC[N+](C)(C)CCC(O)OP(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H48O3.C8H20NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25(2,28)23-26;1-4-6-9(2,3)7-5-8(10)14-15(11,12)13/h10-11,26,28H,3-9,12-23H2,1-2H3;8,10H,4-7H2,1-3H3,(H-,11,12,13)/p+1/b11-10+;