furan; 1,1,3-trimethyl-8-nitro-phenazin-5-ium-2-one; borate

Systemtic Name: furan; 1,1,3-trimethyl-8-nitro-phenazin-5-ium-2-one; borate Openeye Name: furan; 1,1,3-trimethyl-8-nitro-phenazin-5-ium-2-one; borate CAS Name: furan; 1,1,3-trimethyl-8-nitro-2-phenazin-5-iumone; borate IUPAC Name: furan; 1,1,3-trimethyl-8-nitrophenazin-5-ium-2-one; borate Traditional Name: furan; 1,1,3-trimethyl-8-nitro-phenazin-5-ium-2-one; borate Formula: C61H58BN9O16 MolecularWeight: 1183.97492

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Descriptors Computed from Structure

Canonical SMILES:

B([O-])([O-])[O-].CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.C1=COC=C1.C1=COC=C1.C1=COC=C1.C1=COC=C1

Isomeric SMILES

B([O-])([O-])[O-].CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.CC1=CC2=[NH+]C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(C1=O)(C)C.C1=COC=C1.C1=COC=C1.C1=COC=C1.C1=COC=C1

InChI

InChI=1S/3C15H13N3O3.4C4H4O.BO3/c3*1-8-6-12-13(15(2,3)14(8)19)17-11-7-9(18(20)21)4-5-10(11)16-12;4*1-2-4-5-3-1;2-1(3)4/h3*4-7H,1-3H3;4*1-4H;/q;;;;;;;-3/p+3