ditert-butyl phosphate; triethyl-(phenylmethyl)azanium

Systemtic Name: ditert-butyl phosphate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; ditert-butyl phosphate CAS Name: ditert-butyl phosphate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; ditert-butyl phosphate Traditional Name: benzyl(triethyl)ammonium; ditert-butyl phosphate Formula: C21H40NO4P MolecularWeight: 401.520361

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.CC(C)(C)OP(=O)([O-])OC(C)(C)C

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.CC(C)(C)OP(=O)([O-])OC(C)(C)C

InChI

InChI=1S/C13H22N.C8H19O4P/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-7(2,3)11-13(9,10)12-8(4,5)6/h7-11H,4-6,12H2,1-3H3;1-6H3,(H,9,10)/q+1;/p-1