3,5-bis[[methoxy(oxidanidyl)phosphoryl]methyl]benzoate; tetrabutylazanium

Systemtic Name: 3,5-bis[[methoxy(oxidanidyl)phosphoryl]methyl]benzoate; tetrabutylazanium Openeye Name: 3,5-bis[[methoxy(oxido)phosphoryl]methyl]benzoate; tetrabutylammonium CAS Name: 3,5-bis[[methoxy(oxido)phosphoryl]methyl]benzoate; tetrabutylammonium IUPAC Name: 3,5-bis[[methoxy(oxido)phosphoryl]methyl]benzoate; tetrabutylazanium Traditional Name: 3,5-bis[[methoxy(oxido)phosphoryl]methyl]benzoate; tetrabutylammonium Formula: C59H121N3O8P2 MolecularWeight: 1062.554862

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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.COP(=O)(CC1=CC(=CC(=C1)C(=O)[O-])CP(=O)([O-])OC)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.COP(=O)(CC1=CC(=CC(=C1)C(=O)[O-])CP(=O)([O-])OC)[O-]

InChI

InChI=1S/3C16H36N.C11H16O8P2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-18-20(14,15)6-8-3-9(7-21(16,17)19-2)5-10(4-8)11(12)13/h3*5-16H2,1-4H3;3-5H,6-7H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/q3*+1;/p-3