methyl 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate

Systemtic Name: methyl 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate Openeye Name: methyl 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate CAS Name: 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoate Traditional Name: 4-[4-[2-[4-(2-butoxyethoxy)phenyl]ethynyl]phenyl]benzoic acid methyl ester Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H28O4/c1-3-4-19-31-20-21-32-27-17-9-23(10-18-27)6-5-22-7-11-24(12-8-22)25-13-15-26(16-14-25)28(29)30-2/h7-18H,3-4,19-21H2,1-2H3