tris(5-methyl-2-nitro-phenyl) phosphate

Systemtic Name: tris(5-methyl-2-nitro-phenyl) phosphate Openeye Name: tris(5-methyl-2-nitro-phenyl) phosphate CAS Name: phosphoric acid tris(5-methyl-2-nitrophenyl) ester IUPAC Name: tris(5-methyl-2-nitrophenyl) phosphate Traditional Name: phosphoric acid tris(5-methyl-2-nitro-phenyl) ester Formula: C21H18N3O10P MolecularWeight: 503.355481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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