tris(3-methyl-4-nitro-phenyl) phosphate

Systemtic Name: tris(3-methyl-4-nitro-phenyl) phosphate Openeye Name: tris(3-methyl-4-nitro-phenyl) phosphate CAS Name: phosphoric acid tris(3-methyl-4-nitrophenyl) ester IUPAC Name: tris(3-methyl-4-nitrophenyl) phosphate Traditional Name: phosphoric acid tris(3-methyl-4-nitro-phenyl) ester Formula: C21H18N3O10P MolecularWeight: 503.355481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)[N+](=O)[O-])C)OC3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)[N+](=O)[O-])C)OC3=CC(=C(C=C3)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3