4-nitro-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methoxy]benzoic acid

Systemtic Name: 4-nitro-3-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methoxy]benzoic acid Openeye Name: 4-nitro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methoxy]benzoic acid CAS Name: 4-nitro-3-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methoxy]benzoic acid IUPAC Name: 4-nitro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methoxy]benzoic acid Traditional Name: 4-nitro-3-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]oxy-benzoic acid Formula: C40H29N5O5 MolecularWeight: 659.68876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)COC7=C(C=CC(=C7)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NN=N4)C5=CC=CC=C5C6=CC=C(C=C6)COC7=C(C=CC(=C7)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C40H29N5O5/c46-39(47)30-24-25-36(45(48)49)37(26-30)50-27-28-20-22-29(23-21-28)34-18-10-11-19-35(34)38-41-42-43-44(38)40(31-12-4-1-5-13-31,32-14-6-2-7-15-32)33-16-8-3-9-17-33/h1-26H,27H2,(H,46,47)