[(2E,6E)-3,7-dimethyl-8-[[3-(phenylcarbonyl)phenyl]methoxy]octa-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylazanium

Systemtic Name: [(2E,6E)-3,7-dimethyl-8-[[3-(phenylcarbonyl)phenyl]methoxy]octa-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylazanium Openeye Name: [(2E,6E)-8-[(3-benzoylphenyl)methoxy]-3,7-dimethyl-octa-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylammonium CAS Name: [(2E,6E)-8-[(3-benzoylphenyl)methoxy]-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylammonium IUPAC Name: [(2E,6E)-8-[(3-benzoylphenyl)methoxy]-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylazanium Traditional Name: [(2E,6E)-8-(3-benzoylbenzyl)oxy-3,7-dimethyl-octa-2,6-dienyl] phosphono hydrogen phosphate; tetrabutylammonium Formula: C72H138N3O9P2+3 MolecularWeight: 1251.828342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)COCC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C/C(=C\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\C)/COCC1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H30O9P2.3C16H36N/c1-19(14-15-32-35(29,30)33-34(26,27)28)8-6-9-20(2)17-31-18-21-10-7-13-23(16-21)24(25)22-11-4-3-5-12-22;3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h3-5,7,9-14,16H,6,8,15,17-18H2,1-2H3,(H,29,30)(H2,26,27,28);3*5-16H2,1-4H3/q;3*+1/b19-14+,20-9+;;;