sodium 2-[5-methoxycarbonyl-2-propyl-1-[[4-[3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]propan-2-olate

Systemtic Name: sodium 2-[5-methoxycarbonyl-2-propyl-1-[[4-[3-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]imidazol-4-yl]propan-2-olate Openeye Name: sodium 2-[5-methoxycarbonyl-2-propyl-1-[[4-[3-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]propan-2-olate CAS Name: sodium 2-[5-methoxycarbonyl-2-propyl-1-[[4-[3-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-4-imidazolyl]-2-propanolate IUPAC Name: sodium 2-[5-methoxycarbonyl-2-propyl-1-[[4-[3-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]propan-2-olate Traditional Name: sodium 2-[5-carbomethoxy-2-propyl-1-[4-[3-(2-trityltetrazol-5-yl)phenyl]benzyl]imidazol-4-yl]propan-2-olate Formula: C44H41N6NaO3 MolecularWeight: 724.82451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC)C(C)(C)[O-].[Na+]

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)OC)C(C)(C)[O-].[Na+]

InChI

InChI=1S/C44H41N6O3.Na/c1-5-16-38-45-40(43(2,3)52)39(42(51)53-4)49(38)30-31-25-27-32(28-26-31)33-17-15-18-34(29-33)41-46-48-50(47-41)44(35-19-9-6-10-20-35,36-21-11-7-12-22-36)37-23-13-8-14-24-37;/h6-15,17-29H,5,16,30H2,1-4H3;/q-1;+1