2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene

Systemtic Name: 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene Openeye Name: 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene CAS Name: 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene IUPAC Name: 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene Traditional Name: 2,2,4,4,6,6-hexakis(4-nitrophenoxy)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-triene Formula: C36H24N9O18P3 MolecularWeight: 963.546543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])(OC5=CC=C(C=C5)[N+](=O)[O-])OC6=CC=C(C=C6)[N+](=O)[O-])OC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=C(C=C4)[N+](=O)[O-])(OC5=CC=C(C=C5)[N+](=O)[O-])OC6=CC=C(C=C6)[N+](=O)[O-])OC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C36H24N9O18P3/c46-40(47)25-1-13-31(14-2-25)58-64(59-32-15-3-26(4-16-32)41(48)49)37-65(60-33-17-5-27(6-18-33)42(50)51,61-34-19-7-28(8-20-34)43(52)53)39-66(38-64,62-35-21-9-29(10-22-35)44(54)55)63-36-23-11-30(12-24-36)45(56)57/h1-24H