bis(2-isocyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate

Systemtic Name: bis(2-isocyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate Openeye Name: bis(2-isocyanoethyl) [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate CAS Name: phosphoric acid bis(2-isocyanoethyl) [2-(1-oxooctylamino)-1,2-diphenylethyl] ester IUPAC Name: bis(2-isocyanoethyl) [2-(octanoylamino)-1,2-diphenylethyl] phosphate Traditional Name: phosphoric acid [2-(caprylylamino)-1,2-diphenyl-ethyl] bis(2-isocyanoethyl) ester Formula: C28H36N3O5P MolecularWeight: 525.576301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)(OCC[N+]#[C-])OCC[N+]#[C-]

Isomeric SMILES

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)(OCC[N+]#[C-])OCC[N+]#[C-]

InChI

InChI=1S/C28H36N3O5P/c1-4-5-6-7-14-19-26(32)31-27(24-15-10-8-11-16-24)28(25-17-12-9-13-18-25)36-37(33,34-22-20-29-2)35-23-21-30-3/h8-13,15-18,27-28H,4-7,14,19-23H2,1H3,(H,31,32)