[4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] benzoate

Systemtic Name: [4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] benzoate Openeye Name: [4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[4-(phenoxymethoxy)phenyl]ethynyl]phenyl] ester Formula: C28H20O4 MolecularWeight: 420.456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OCOC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#CC3=CC=C(C=C3)OCOC4=CC=CC=C4

InChI

InChI=1S/C28H20O4/c29-28(24-7-3-1-4-8-24)32-27-19-15-23(16-20-27)12-11-22-13-17-26(18-14-22)31-21-30-25-9-5-2-6-10-25/h1-10,13-20H,21H2