tris[bis(4-nitrophenyl)methyl] phosphate

Systemtic Name: tris[bis(4-nitrophenyl)methyl] phosphate Openeye Name: tris[bis(4-nitrophenyl)methyl] phosphate CAS Name: phosphoric acid tris[bis(4-nitrophenyl)methyl] ester IUPAC Name: tris[bis(4-nitrophenyl)methyl] phosphate Traditional Name: phosphoric acid tris[bis(4-nitrophenyl)methyl] ester Formula: C39H27N6O16P MolecularWeight: 866.636041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])OP(=O)(OC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])OC(C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])OP(=O)(OC(C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-])OC(C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C39H27N6O16P/c46-40(47)31-13-1-25(2-14-31)37(26-3-15-32(16-4-26)41(48)49)59-62(58,60-38(27-5-17-33(18-6-27)42(50)51)28-7-19-34(20-8-28)43(52)53)61-39(29-9-21-35(22-10-29)44(54)55)30-11-23-36(24-12-30)45(56)57/h1-24,37-39H