tris(3-methyl-5-nitro-phenyl) phosphate

Systemtic Name: tris(3-methyl-5-nitro-phenyl) phosphate Openeye Name: tris(3-methyl-5-nitro-phenyl) phosphate CAS Name: phosphoric acid tris(3-methyl-5-nitrophenyl) ester IUPAC Name: tris(3-methyl-5-nitrophenyl) phosphate Traditional Name: phosphoric acid tris(3-methyl-5-nitro-phenyl) ester Formula: C21H18N3O10P MolecularWeight: 503.355481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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