tris[3-(1H-imidazol-5-yl)-2-oxidanylidene-propyl] phosphate

Systemtic Name: tris[3-(1H-imidazol-5-yl)-2-oxidanylidene-propyl] phosphate Openeye Name: tris[3-(1H-imidazol-5-yl)-2-oxo-propyl] phosphate CAS Name: phosphoric acid tris[3-(1H-imidazol-5-yl)-2-oxopropyl] ester IUPAC Name: tris[3-(1H-imidazol-5-yl)-2-oxopropyl] phosphate Traditional Name: phosphoric acid tris[3-(1H-imidazol-5-yl)-2-keto-propyl] ester Formula: C18H21N6O7P MolecularWeight: 464.369101

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(=O)COP(=O)(OCC(=O)CC2=CN=CN2)OCC(=O)CC3=CN=CN3

Isomeric SMILES

C1=C(NC=N1)CC(=O)COP(=O)(OCC(=O)CC2=CN=CN2)OCC(=O)CC3=CN=CN3

InChI

InChI=1S/C18H21N6O7P/c25-16(1-13-4-19-10-22-13)7-29-32(28,30-8-17(26)2-14-5-20-11-23-14)31-9-18(27)3-15-6-21-12-24-15/h4-6,10-12H,1-3,7-9H2,(H,19,22)(H,20,23)(H,21,24)