methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-4-ium-2-yl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-1-ium; dichloride; hydrate

Systemtic Name: methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-4-ium-2-yl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-1-ium; dichloride; hydrate Openeye Name: methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyl-tetrazol-4-ium-2-yl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyl-tetrazol-1-ium; dichloride; hydrate CAS Name: methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyl-2-tetrazol-4-iumyl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyltetrazol-1-ium; dichloride; hydrate IUPAC Name: methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyltetrazol-4-ium-2-yl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyltetrazol-1-ium; dichloride; hydrate Traditional Name: methanol; 3-[2-methoxy-4-[3-methoxy-4-[4-(4-nitrophenyl)-5-phenyl-tetrazol-4-ium-2-yl]phenyl]phenyl]-1-(4-nitrophenyl)-5-phenyl-tetrazol-1-ium; dichloride; hydrate Formula: C41H36Cl2N10O8 MolecularWeight: 867.69274

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Descriptors Computed from Structure

Canonical SMILES:

CO.COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C([N+](=N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)N6N=C([N+](=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.O.[Cl-].[Cl-]

Isomeric SMILES

CO.COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N3N=C([N+](=N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OC)N6N=C([N+](=N6)C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8.O.[Cl-].[Cl-]

InChI

InChI=1S/C40H30N10O6.CH4O.2ClH.H2O/c1-55-37-25-29(13-23-35(37)47-41-39(27-9-5-3-6-10-27)45(43-47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-42-40(28-11-7-4-8-12-28)46(44-48)32-17-21-34(22-18-32)50(53)54;1-2;;;/h3-26H,1-2H3;2H,1H3;2*1H;1H2/q+2;;;;/p-2