phenethyl phosphate; tetrabutylazanium

Systemtic Name: phenethyl phosphate; tetrabutylazanium Openeye Name: phenethyl phosphate; tetrabutylammonium CAS Name: phenethyl phosphate; tetrabutylammonium IUPAC Name: phenethyl phosphate; tetrabutylazanium Traditional Name: phenethyl phosphate; tetrabutylammonium Formula: C40H81N2O4P MolecularWeight: 691.055182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)CCOP(=O)([O-])[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C=C1)CCOP(=[18O])([18O-])[18O-]

InChI

InChI=1S/2C16H36N.C8H11O4P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-13(10,11)12-7-6-8-4-2-1-3-5-8/h2*5-16H2,1-4H3;1-5H,6-7H2,(H2,9,10,11)/q2*+1;/p-2/i;;9+2,10+2,11+2