tris(2,3-diethyl-4-nitro-phenyl) phosphate

Systemtic Name: tris(2,3-diethyl-4-nitro-phenyl) phosphate Openeye Name: tris(2,3-diethyl-4-nitro-phenyl) phosphate CAS Name: phosphoric acid tris(2,3-diethyl-4-nitrophenyl) ester IUPAC Name: tris(2,3-diethyl-4-nitrophenyl) phosphate Traditional Name: phosphoric acid tris(2,3-diethyl-4-nitro-phenyl) ester Formula: C30H36N3O10P MolecularWeight: 629.594701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)OP(=O)(OC2=C(C(=C(C=C2)[N+](=O)[O-])CC)CC)OC3=C(C(=C(C=C3)[N+](=O)[O-])CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1CC)OP(=O)(OC2=C(C(=C(C=C2)[N+](=O)[O-])CC)CC)OC3=C(C(=C(C=C3)[N+](=O)[O-])CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C30H36N3O10P/c1-7-19-22(10-4)28(16-13-25(19)31(34)35)41-44(40,42-29-17-14-26(32(36)37)20(8-2)23(29)11-5)43-30-18-15-27(33(38)39)21(9-3)24(30)12-6/h13-18H,7-12H2,1-6H3