(E)-2,3-bis(oxidanyl)pentacos-16-en-4-one; butyl-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium

Systemtic Name: (E)-2,3-bis(oxidanyl)pentacos-16-en-4-one; butyl-dimethyl-(3-oxidanyl-3-phosphonooxy-propyl)azanium Openeye Name: butyl-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium; (E)-2,3-dihydroxypentacos-16-en-4-one CAS Name: butyl-(3-hydroxy-3-phosphonooxypropyl)-dimethylammonium; (E)-2,3-dihydroxy-16-pentacosen-4-one IUPAC Name: butyl-(3-hydroxy-3-phosphonooxypropyl)-dimethylazanium; (E)-2,3-dihydroxypentacos-16-en-4-one Traditional Name: butyl-(3-hydroxy-3-phosphonooxy-propyl)-dimethyl-ammonium; (E)-2,3-dihydroxypentacos-16-en-4-one Formula: C34H71NO8P+ MolecularWeight: 652.903201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48O3.C9H22NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25(28)23(2)26;1-4-5-7-10(2,3)8-6-9(11)15-16(12,13)14/h10-11,23,25-26,28H,3-9,12-22H2,1-2H3;9,11H,4-8H2,1-3H3,(H-,12,13,14)/p+1/b11-10+;